# Sergiy Bubin

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**Office**

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**Website**

B.S./M.S. in Physics, Taras Shevchenko Kyiv National University, 1999

Ph.D in Physics, University of Arizona, 2006

Sergiy Bubin’s research interests are concentrated in the field of computational quantum mechanics, that spans fundamental and applied work in quantum chemistry, electronic structure, few-body physics, atomic and molecular physics, quantum dynamics, and nanoscience.

Full list of publications can be found in Google Scholar Profile.

Enhanced ionization of acetylene in intense laser pulses is due to energy upshift and field coupling of multiple orbitals

Erattupuzha, S., Covington, C., Russakoff, A., Lötstedt, E., Larimian, S., Hanus, V., Schöffler, M., Bubin, S., Koch, M., Gräfe, S., Baltuska, A., Xie, X., Yamanouchi, K., Varga, K., Kitzler, M.,

Relativistic corrections for non-Born-Oppenheimer molecular wave functions expanded in terms of complex explicitly correlated Gaussian functions

Bubin, S., Stanke, M., Adamowicz, L.,

Enhanced ionisation of polyatomic molecules in intense laser pulses is due to energy upshift and field coupling of multiple orbitals

Erattupuzha, S., Covington, C., Russakoff, A., Lötstedt, E., Larimian, S., Hanus, V., Bubin, S., Koch, M., Gräfe, S., Baltuška, A., Xie, X., Yamanouchi, K., Varga, K., Kitzler, M.,

Lowest S 2 Electronic Excitations of the Boron Atom

Bubin, S., Adamowicz, L.,

Time-dependent density-functional study of the alignment-dependent ionization of acetylene and ethylene by strong laser pulses

Russakoff, A., Bubin, S., Xie, X., Erattupuzha, S., Kitzler, M., Varga, K.,

Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of ditritium using all-particle explicitly correlated Gaussian functions

Bubin, S., Stanke, M., Adamowicz, L.,

Role of proton dynamics in efficient photoionization of hydrocarbon molecules

Xie, X., Roither, S., Schöffler, M., Xu, H., Bubin, S., Lötstedt, E., Erattuphuza, S., Iwasaki, A., Kartashov, D., Varga, K., G. Paulus, G., Baltuška, A., Yamanouchi, K., Kitzler, M.,

Prediction of 1P Rydberg energy levels of beryllium based on calculations with explicitly correlated Gaussians

Bubin, S., Adamowicz, L.,

Ab-initio simulation of the ionization and fragmentation of acetylene by strong femtosecond laser pulses

Russakoff, A., Bubin, S., Varga, K.,

Excited states of positronic lithium and beryllium

Bubin, S., Prezhdo, O.,

Instability of tripositronium

Bubin, S., Prezhdo, O., Varga, K.,

Theory and application of explicitly correlated Gaussians

Mitroy, J., Bubin, S., Horiuchi, W., Suzuki, Y., Adamowicz, L., Cencek, W., Szalewicz, K., Komasa, J., Blume, D., Varga, K.,

Prediction of 2D Rydberg energy levels of 6Li and 7Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, S., Sharkey, K., Adamowicz, L.,

Prediction of 2S Rydberg energy levels of 6Li and 7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, S., Adamowicz, L.,

Born-oppenheimer and non-born-oppenheimer, atomic and molecular calculations with explicitly correlated gaussians

Bubin, S., Pavanello, M., Tung, W., Sharkey, K., Adamowicz, L.,

Interaction of electromagnetic fields and atomic clusters

Bubin, S., Russakoff, A., Varga, K.,

Highly efficient molecular ionization probed by few-cycle laser pulses

Roither, S., Xie, X., Schöffer, M., Kartashov, D., Zhang, L., Iwasaki, A., Xu, H., Bubin, S., Atkinson, M., Varga, K., Yamanouchi, K., Baltuška, A., Kitzler, M.,

Fragmentation control of a polyatomic molecule by fully determined laser-fields

Xie, X., Roither, S., Schöffler, M., Kartashov, D., Xu, H., Zhang, L., Rathje, T., Paulus, G., Doblhoff-Dier, K., Gräfe, S., Bubin, S., Atkinson, M., Varga, K., Yamanouchi, K., Baltuška, A., Kitzler, M.,

Strong laser-pulse-driven ionization and Coulomb explosion of hydrocarbon molecules

Bubin, S., Atkinson, M., Varga, K., Xie, X., Roither, S., Kartashov, D., Baltuka, A., Kitzler, M.,

Assessment of the accuracy the experimental energies of the 1P o 1s 22s6p and 1s 22s7p states of 9Be based on variational calculations with explicitly correlated Gaussians

Bubin, S., Adamowicz, L.,

Explicitly correlated Gaussian calculations of the 2D Rydberg states of the boron atom

Sharkey, K., Bubin, S., Adamowicz, L.,

Simulation of high-energy ion collisions with graphene fragments

Bubin, S., Wang, B., Pantelides, S., Varga, K.,

Electron and ion dynamics in graphene and graphane fragments subjected to high-intensity laser pulses

Bubin, S., Varga, K.,

Explicitly correlated Gaussian calculations of the 2P o Rydberg spectrum of the lithium atom

Bubin, S., Adamowicz, L.,

Accurate variational calculations of the ground 2P o(1s 22s 22p) and excited 2S(1s 22s2p 2) and 2P o(1s 22s 23p) states of singly ionized carbon atom

Bubin, S., Adamowicz, L.,

1D states of the beryllium atom: Quantum mechanical nonrelativistic calculations employing explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

Electron-ion dynamics in laser-assisted desorption of hydrogen atoms from H-Si(111) surface

Bubin, S., Varga, K.,

Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of D2 with including relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

Ground-state energy and relativistic corrections for positronium hydride

Bubin, S., Varga, K.,

Time-dependent density functional study of field emission from nanotubes composed of C, BN, SiC, Si, and GaN

Driscoll, J., Bubin, S., French, W., Varga, K.,

First-principles study of field emission from carbon nanotubes and graphene nanoribbons

Driscoll, J., Cook, B., Bubin, S., Varga, K.,

Laser-induced electron emission from nanostructures: A first-principles study

Driscoll, J., Bubin, S., Varga, K.,

Refinement of the experimental energy levels of higher 2D Rydberg states of the lithium atom with very accurate quantum mechanical calculations

Sharkey, K., Bubin, S., Adamowicz, L.,

Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

First-principles time-dependent simulation of laser assisted desorption of hydrogen atoms from H-Si(111) surface

Bubin, S., Varga, K.,

Correlated-Gaussian calculations of the ground and low-lying excited states of the boron atom

Bubin, S., Adamowicz, L.,

An algorithm for calculating atomic D states with explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

Lower Rydberg 2D states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

Calculation of transmission probability by solving an eigenvalue problem

Bubin, S., Varga, K.,

Lower vibrational transitions of the 3He4He + ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

Accurate non-Born-Oppenheimer calculations of the lowest vibrational energies of D2 and T2 with including relativistic corrections

Bubin, S., Stanke, M., Molski, M., Adamowicz, L.,

Isotope shifts of the 1s22s2(1S0) → 1s22p2(1S0) transition in the doubly ionized carbon ion C2+

Bubin, S., Komasa, J., Stanke, M., Adamowicz, L.,

Isotope shifts of the three lowest S1 states of the B+ ion calculated with a finite-nuclear-mass approach and with relativistic and quantum electrodynamics corrections

Bubin, S., Komasa, J., Stanke, M., Adamowicz, L.,

Analytical energy gradient in variational calculations of the two lowest P3 states of the carbon atom with explicitly correlated Gaussian basis functions

Sharkey, K., Bubin, S., Adamowicz, L.,

Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

Sharkey, K., Pavanello, M., Bubin, S., Adamowicz, L.,

Five lowest S1 states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections

Stanke, M., Komasa, J., Bubin, S., Adamowicz, L.,

Non-adiabatic corrections to the energies of the pure vibrational states of H2

Bubin, S., Leonarski, F., Stanke, M., Adamowicz, L.,

Fundamental vibrational transitions of the H3 e H4 e+ and L7 iH+ ions calculated without assuming the Born-Oppenheimer approximation and with including leading relativistic corrections

Stanke, M., Bubin, S., Adamowicz, L.,

Non-Born-Oppenheimer calculations of the lowest vibrational energy of HD including relativistic corrections

Stanke, M., Bubin, S., Molski, M., Adamowicz, L.,

Calculations of low-lying P1 states of the beryllium atom

Bubin, S., Adamowicz, L.,

Non-Born-Oppenheimer calculations of the BH molecule

Bubin, S., Stanke, M., Adamowicz, L.,

Isotope shift in the electron affinity of lithium

Bubin, S., Komasa, J., Stanke, M., Adamowicz, L.,

Charge asymmetry in pure vibrational states of the HD molecule

Bubin, S., Leonarski, F., Stanke, M., Adamowicz, L.,

Accuracy limits on the description of the lowest S excitation in the Li atom using explicitly correlated Gaussian basis functions

Stanke, M., Komasa, J., Kdziera, D., Bubin, S., Adamowicz, L.,

Accurate Born-Oppenheimer calculations of the low-lying c 3∑g+ and a3∑ u+ excited states of helium dimer

Pavanello, M., Cafiero, M., Bubin, S., Adamowicz, L.,

Three lowest S states of B9 e+ calculated with including nuclear motion and relativistic and QED corrections

Stanke, M., Komasa, J., Kȩdziera, D., Bubin, S., Adamowicz, L.,

Complete I 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

Orbit-orbit relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of H2

Stanke, M., Kȩdziera, D., Bubin, S., Molski, M., Adamowicz, L.,

Energy and energy gradient matrix elements with N -particle explicitly correlated complex Gaussian basis functions with L=1

Bubin, S., Adamowicz, L.,

Lowest vibrational states of He4 He+3: Non-Born-Oppenheimer calculations

Stanke, M., Kdziera, D., Bubin, S., Molski, M., Adamowicz, L.,

Improved calculations of the lowest vibrational transitions in He H+

Bubin, S., Stanke, M., Kdziera, D., Adamowicz, L.,

Lowest excitation energy of Be9

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

Relativistic corrections to the ground-state energy of the positronium molecule

Bubin, S., Stanke, M., Kdziera, D., Adamowicz, L.,

Ionization potential of Be9 calculated including nuclear motion and relativistic corrections

Stanke, M., Kdziera, D., Bubin, S., Adamowicz, L.,

Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

Electron affinity of Li7 calculated with the inclusion of nuclear motion and relativistic corrections

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

Calculations of the ground states of BeH and Be H+ without the Born-Oppenheimer approximation

Bubin, S., Adamowicz, L.,

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

Bubin, S., Adamowicz, L.,

Nonrelativistic variational calculations of the positronium molecule and the positronium hydride

Bubin, S., Adamowicz, L.,

Non-Born-Oppenheimer variational calculation of the ground-state vibrational spectrum of LiH +

Bubin, S., Adamowicz, L.,

Darwin and mass-velocity relativistic corrections in the non-Born-Oppenheimer calculations of pure vibrational states of H 2

Kȩdziera, D., Stanke, M., Bubin, S., Barysz, M., Adamowicz, L.,

Darwin and mass-velocity relativistic corrections in non-Born-Oppenheimer variational calculations

Kedziera, D., Stanke, M., Bubin, S., Barysz, M., Adamowicz, L.,

Convergence of experiment and theory on the pure vibrational spectrum of HeH+

Stanke, M., Kȩdziera, D., Molski, M., Bubin, S., Barysz, M., Adamowicz, L.,

An accurate non-Born-Oppenheimer calculation of the first purely vibrational transition in LiH molecule

Bubin, S., Adamowicz, L., Molski, M.,

Non-Born-Oppenheimer calculations of the pure vibrational spectrum of HeH

Pavanello, M., Bubin, S., Molski, M., Adamowicz, L.,

Non-Born-Oppenheimer variational calculations of HT

Bednarz, E., Bubin, S., Adamowicz, L.,

Integrals for non-Born-Oppenheimer calculations of molecules with three nuclei

Bednarz, E., Bubin, S., Adamowicz, L.,

Nucleus-nucleus correlation function in non-Born-Oppenheimer molecular calculations: Vibrationally excited states of HD+

Bubin, S., Adamowicz, L.,

Non-born-oppenheimer variational calculations of atoms and molecules with explicitly correlated Gaussian basis functions

Bubin, S., Cafiero, M., Adamowicz, L.,

Charge asymmetry in HD

Bubin, S., Bednarz, E., Adamowicz, L.,

Nonrelativistic molecular quantum mechanics without approximations: Electron affinities of LiH and LiD

Bubin, S., Adamowicz, L.,

Non-Born-Oppenheimer study of positronic molecular systems: e

Bubin, S., Adamowicz, L.,

Non-Born-Oppenheimer calculations of atoms and molecules

Cafiero, M., Bubin, S., Adamowicz, L.,

Variational calculations of excited states with zero total angular momentum (vibrational spectrum) of H2 without use the Born-Oppenheimer approximation

Bubin, S., Adamowicz, L.,

Erattupuzha, S., Covington, C., Russakoff, A., Lötstedt, E., Larimian, S., Hanus, V., Schöffler, M., Bubin, S., Koch, M., Gräfe, S., Baltuska, A., Xie, X., Yamanouchi, K., Varga, K., Kitzler, M.,

**2017**In : Journal of Physics: Conference Series. 875, 4,Relativistic corrections for non-Born-Oppenheimer molecular wave functions expanded in terms of complex explicitly correlated Gaussian functions

Bubin, S., Stanke, M., Adamowicz, L.,

**2017**In : Physical Review A. 95, 6,Enhanced ionisation of polyatomic molecules in intense laser pulses is due to energy upshift and field coupling of multiple orbitals

Erattupuzha, S., Covington, C., Russakoff, A., Lötstedt, E., Larimian, S., Hanus, V., Bubin, S., Koch, M., Gräfe, S., Baltuška, A., Xie, X., Yamanouchi, K., Varga, K., Kitzler, M.,

**2017**In : Journal of Physics B: Atomic, Molecular and Optical Physics. 50, 12,Lowest S 2 Electronic Excitations of the Boron Atom

Bubin, S., Adamowicz, L.,

**2017**In : Physical Review Letters. 118, 4,Time-dependent density-functional study of the alignment-dependent ionization of acetylene and ethylene by strong laser pulses

Russakoff, A., Bubin, S., Xie, X., Erattupuzha, S., Kitzler, M., Varga, K.,

**2015**In : Physical Review A - Atomic, Molecular, and Optical Physics. 91, 2,Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

**2014**In : Chemical Physics Letters. 616-617, p. 254-258Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of ditritium using all-particle explicitly correlated Gaussian functions

Bubin, S., Stanke, M., Adamowicz, L.,

**2014**In : Journal of Chemical Physics. 140, 15,Role of proton dynamics in efficient photoionization of hydrocarbon molecules

Xie, X., Roither, S., Schöffler, M., Xu, H., Bubin, S., Lötstedt, E., Erattuphuza, S., Iwasaki, A., Kartashov, D., Varga, K., G. Paulus, G., Baltuška, A., Yamanouchi, K., Kitzler, M.,

**2014**In : Physical Review A - Atomic, Molecular, and Optical Physics. 89, 2,Prediction of 1P Rydberg energy levels of beryllium based on calculations with explicitly correlated Gaussians

Bubin, S., Adamowicz, L.,

**2014**In : Journal of Chemical Physics. 140, 2,Ab-initio simulation of the ionization and fragmentation of acetylene by strong femtosecond laser pulses

Russakoff, A., Bubin, S., Varga, K.,

**2014**In : Journal of Physics: Conference Series. 574, 1,Excited states of positronic lithium and beryllium

Bubin, S., Prezhdo, O.,

**2013**In : Physical Review Letters. 111, 19,Instability of tripositronium

Bubin, S., Prezhdo, O., Varga, K.,

**2013**In : Physical Review A - Atomic, Molecular, and Optical Physics. 87, 5,Theory and application of explicitly correlated Gaussians

Mitroy, J., Bubin, S., Horiuchi, W., Suzuki, Y., Adamowicz, L., Cencek, W., Szalewicz, K., Komasa, J., Blume, D., Varga, K.,

**2013**In : Reviews of Modern Physics. 85, 2, p. 693-749Prediction of 2D Rydberg energy levels of 6Li and 7Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, S., Sharkey, K., Adamowicz, L.,

**2013**In : Journal of Chemical Physics. 138, 16,Prediction of 2S Rydberg energy levels of 6Li and 7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, S., Adamowicz, L.,

**2013**In : Physical Review A - Atomic, Molecular, and Optical Physics. 87, 4,Born-oppenheimer and non-born-oppenheimer, atomic and molecular calculations with explicitly correlated gaussians

Bubin, S., Pavanello, M., Tung, W., Sharkey, K., Adamowicz, L.,

**2013**In : Chemical Reviews. 113, 1, p. 36-79Interaction of electromagnetic fields and atomic clusters

Bubin, S., Russakoff, A., Varga, K.,

**2013**In : Journal of Physics: Conference Series. 436, 1,Highly efficient molecular ionization probed by few-cycle laser pulses

Roither, S., Xie, X., Schöffer, M., Kartashov, D., Zhang, L., Iwasaki, A., Xu, H., Bubin, S., Atkinson, M., Varga, K., Yamanouchi, K., Baltuška, A., Kitzler, M.,

**2013**EPJ Web of Conferences. 41,Fragmentation control of a polyatomic molecule by fully determined laser-fields

Xie, X., Roither, S., Schöffler, M., Kartashov, D., Xu, H., Zhang, L., Rathje, T., Paulus, G., Doblhoff-Dier, K., Gräfe, S., Bubin, S., Atkinson, M., Varga, K., Yamanouchi, K., Baltuška, A., Kitzler, M.,

**2013**EPJ Web of Conferences. 41,Strong laser-pulse-driven ionization and Coulomb explosion of hydrocarbon molecules

Bubin, S., Atkinson, M., Varga, K., Xie, X., Roither, S., Kartashov, D., Baltuka, A., Kitzler, M.,

**2012**In : Physical Review A - Atomic, Molecular, and Optical Physics. 86, 4,Assessment of the accuracy the experimental energies of the 1P o 1s 22s6p and 1s 22s7p states of 9Be based on variational calculations with explicitly correlated Gaussians

Bubin, S., Adamowicz, L.,

**2012**In : Journal of Chemical Physics. 137, 10,Explicitly correlated Gaussian calculations of the 2D Rydberg states of the boron atom

Sharkey, K., Bubin, S., Adamowicz, L.,

**2012**In : Journal of Chemical Physics. 137, 6,Simulation of high-energy ion collisions with graphene fragments

Bubin, S., Wang, B., Pantelides, S., Varga, K.,

**2012**In : Physical Review B - Condensed Matter and Materials Physics. 85, 23,Electron and ion dynamics in graphene and graphane fragments subjected to high-intensity laser pulses

Bubin, S., Varga, K.,

**2012**In : Physical Review B - Condensed Matter and Materials Physics. 85, 20,Explicitly correlated Gaussian calculations of the 2P o Rydberg spectrum of the lithium atom

Bubin, S., Adamowicz, L.,

**2012**In : Journal of Chemical Physics. 136, 13,Accurate variational calculations of the ground 2P o(1s 22s 22p) and excited 2S(1s 22s2p 2) and 2P o(1s 22s 23p) states of singly ionized carbon atom

Bubin, S., Adamowicz, L.,

**2011**In : Journal of Chemical Physics. 135, 21,1D states of the beryllium atom: Quantum mechanical nonrelativistic calculations employing explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

**2011**In : Physical Review A - Atomic, Molecular, and Optical Physics. 84, 4,Electron-ion dynamics in laser-assisted desorption of hydrogen atoms from H-Si(111) surface

Bubin, S., Varga, K.,

**2011**In : Journal of Applied Physics. 110, 6,Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of D2 with including relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

**2011**In : Journal of Chemical Physics. 135, 7,Ground-state energy and relativistic corrections for positronium hydride

Bubin, S., Varga, K.,

**2011**In : Physical Review A - Atomic, Molecular, and Optical Physics. 84, 1,Time-dependent density functional study of field emission from nanotubes composed of C, BN, SiC, Si, and GaN

Driscoll, J., Bubin, S., French, W., Varga, K.,

**2011**In : Nanotechnology. 22, 28,First-principles study of field emission from carbon nanotubes and graphene nanoribbons

Driscoll, J., Cook, B., Bubin, S., Varga, K.,

**2011**In : Journal of Applied Physics. 110, 2,Laser-induced electron emission from nanostructures: A first-principles study

Driscoll, J., Bubin, S., Varga, K.,

**2011**In : Physical Review B - Condensed Matter and Materials Physics. 83, 23,Refinement of the experimental energy levels of higher 2D Rydberg states of the lithium atom with very accurate quantum mechanical calculations

Sharkey, K., Bubin, S., Adamowicz, L.,

**2011**In : Journal of Chemical Physics. 134, 19,Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

**2011**In : Physical Review A - Atomic, Molecular, and Optical Physics. 83, 4,First-principles time-dependent simulation of laser assisted desorption of hydrogen atoms from H-Si(111) surface

Bubin, S., Varga, K.,

**2011**In : Applied Physics Letters. 98, 15,Correlated-Gaussian calculations of the ground and low-lying excited states of the boron atom

Bubin, S., Adamowicz, L.,

**2011**In : Physical Review A - Atomic, Molecular, and Optical Physics. 83, 2,An algorithm for calculating atomic D states with explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

**2011**In : Journal of Chemical Physics. 134, 4,Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

**2011**In : Journal of Chemical Physics. 134, 2,Lower Rydberg 2D states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions

Sharkey, K., Bubin, S., Adamowicz, L.,

**2011**In : Physical Review A - Atomic, Molecular, and Optical Physics. 83, 1,Calculation of transmission probability by solving an eigenvalue problem

Bubin, S., Varga, K.,

**2010**In : Journal of Physics Condensed Matter. 22, 46,Lower vibrational transitions of the 3He4He + ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Bubin, S., Stanke, M., Adamowicz, L.,

**2010**In : Chemical Physics Letters. 500, 4-6, p. 229-231Accurate non-Born-Oppenheimer calculations of the lowest vibrational energies of D2 and T2 with including relativistic corrections

Bubin, S., Stanke, M., Molski, M., Adamowicz, L.,

**2010**In : Chemical Physics Letters. 494, 1-3, p. 21-25Isotope shifts of the 1s22s2(1S0) → 1s22p2(1S0) transition in the doubly ionized carbon ion C2+

Bubin, S., Komasa, J., Stanke, M., Adamowicz, L.,

**2010**In : Physical Review A - Atomic, Molecular, and Optical Physics. 81, 5,Isotope shifts of the three lowest S1 states of the B+ ion calculated with a finite-nuclear-mass approach and with relativistic and quantum electrodynamics corrections

Bubin, S., Komasa, J., Stanke, M., Adamowicz, L.,

**2010**In : Journal of Chemical Physics. 132, 11,Analytical energy gradient in variational calculations of the two lowest P3 states of the carbon atom with explicitly correlated Gaussian basis functions

Sharkey, K., Bubin, S., Adamowicz, L.,

**2010**In : Journal of Chemical Physics. 132, 18,Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

Sharkey, K., Pavanello, M., Bubin, S., Adamowicz, L.,

**2009**In : Physical Review A - Atomic, Molecular, and Optical Physics. 80, 6,Five lowest S1 states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections

Stanke, M., Komasa, J., Bubin, S., Adamowicz, L.,

**2009**In : Physical Review A - Atomic, Molecular, and Optical Physics. 80, 2,Non-adiabatic corrections to the energies of the pure vibrational states of H2

Bubin, S., Leonarski, F., Stanke, M., Adamowicz, L.,

**2009**In : Chemical Physics Letters. 477, 1-3, p. 12-16Fundamental vibrational transitions of the H3 e H4 e+ and L7 iH+ ions calculated without assuming the Born-Oppenheimer approximation and with including leading relativistic corrections

Stanke, M., Bubin, S., Adamowicz, L.,

**2009**In : Physical Review A - Atomic, Molecular, and Optical Physics. 79, 6,Non-Born-Oppenheimer calculations of the lowest vibrational energy of HD including relativistic corrections

Stanke, M., Bubin, S., Molski, M., Adamowicz, L.,

**2009**In : Physical Review A - Atomic, Molecular, and Optical Physics. 79, 3,Calculations of low-lying P1 states of the beryllium atom

Bubin, S., Adamowicz, L.,

**2009**In : Physical Review A - Atomic, Molecular, and Optical Physics. 79, 2,Non-Born-Oppenheimer calculations of the BH molecule

Bubin, S., Stanke, M., Adamowicz, L.,

**2009**In : Journal of Chemical Physics. 131, 4,Isotope shift in the electron affinity of lithium

Bubin, S., Komasa, J., Stanke, M., Adamowicz, L.,

**2009**In : Journal of Chemical Physics. 131, 23,Charge asymmetry in pure vibrational states of the HD molecule

Bubin, S., Leonarski, F., Stanke, M., Adamowicz, L.,

**2009**In : Journal of Chemical Physics. 130, 12,Accuracy limits on the description of the lowest S excitation in the Li atom using explicitly correlated Gaussian basis functions

Stanke, M., Komasa, J., Kdziera, D., Bubin, S., Adamowicz, L.,

**2008**In : Physical Review A - Atomic, Molecular, and Optical Physics. 78, 5,Accurate Born-Oppenheimer calculations of the low-lying c 3∑g+ and a3∑ u+ excited states of helium dimer

Pavanello, M., Cafiero, M., Bubin, S., Adamowicz, L.,

**2008**In : International Journal of Quantum Chemistry. 108, 12 SPEC. ISS., p. 2291-2298Three lowest S states of B9 e+ calculated with including nuclear motion and relativistic and QED corrections

Stanke, M., Komasa, J., Kȩdziera, D., Bubin, S., Adamowicz, L.,

**2008**In : Physical Review A - Atomic, Molecular, and Optical Physics. 77, 6,Complete I 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

**2008**In : Physical Review A - Atomic, Molecular, and Optical Physics. 77, 2,Orbit-orbit relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of H2

Stanke, M., Kȩdziera, D., Bubin, S., Molski, M., Adamowicz, L.,

**2008**In : Journal of Chemical Physics. 128, 11,Energy and energy gradient matrix elements with N -particle explicitly correlated complex Gaussian basis functions with L=1

Bubin, S., Adamowicz, L.,

**2008**In : Journal of Chemical Physics. 128, 11,Lowest vibrational states of He4 He+3: Non-Born-Oppenheimer calculations

Stanke, M., Kdziera, D., Bubin, S., Molski, M., Adamowicz, L.,

**2007**In : Physical Review A - Atomic, Molecular, and Optical Physics. 76, 5,Improved calculations of the lowest vibrational transitions in He H+

Bubin, S., Stanke, M., Kdziera, D., Adamowicz, L.,

**2007**In : Physical Review A - Atomic, Molecular, and Optical Physics. 76, 2,Lowest excitation energy of Be9

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

**2007**In : Physical Review Letters. 99, 4,Relativistic corrections to the ground-state energy of the positronium molecule

Bubin, S., Stanke, M., Kdziera, D., Adamowicz, L.,

**2007**In : Physical Review A - Atomic, Molecular, and Optical Physics. 75, 6,Ionization potential of Be9 calculated including nuclear motion and relativistic corrections

Stanke, M., Kdziera, D., Bubin, S., Adamowicz, L.,

**2007**In : Physical Review A - Atomic, Molecular, and Optical Physics. 75, 5,Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

**2007**In : Journal of Chemical Physics. 126, 19,Electron affinity of Li7 calculated with the inclusion of nuclear motion and relativistic corrections

Stanke, M., Kȩdziera, D., Bubin, S., Adamowicz, L.,

**2007**In : Journal of Chemical Physics. 127, 13,Calculations of the ground states of BeH and Be H+ without the Born-Oppenheimer approximation

Bubin, S., Adamowicz, L.,

**2007**In : Journal of Chemical Physics. 126, 21,Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

Bubin, S., Adamowicz, L.,

**2006**In : Journal of Chemical Physics. 124, 22,Nonrelativistic variational calculations of the positronium molecule and the positronium hydride

Bubin, S., Adamowicz, L.,

**2006**In : Physical Review A - Atomic, Molecular, and Optical Physics. 74, 5,Non-Born-Oppenheimer variational calculation of the ground-state vibrational spectrum of LiH +

Bubin, S., Adamowicz, L.,

**2006**In : Journal of Chemical Physics. 125, 6,Darwin and mass-velocity relativistic corrections in the non-Born-Oppenheimer calculations of pure vibrational states of H 2

Kȩdziera, D., Stanke, M., Bubin, S., Barysz, M., Adamowicz, L.,

**2006**In : Journal of Chemical Physics. 125, 1,Darwin and mass-velocity relativistic corrections in non-Born-Oppenheimer variational calculations

Kedziera, D., Stanke, M., Bubin, S., Barysz, M., Adamowicz, L.,

**2006**In : Journal of Chemical Physics. 125, 8,Convergence of experiment and theory on the pure vibrational spectrum of HeH+

Stanke, M., Kȩdziera, D., Molski, M., Bubin, S., Barysz, M., Adamowicz, L.,

**2006**In : Physical Review Letters. 96, 23,An accurate non-Born-Oppenheimer calculation of the first purely vibrational transition in LiH molecule

Bubin, S., Adamowicz, L., Molski, M.,

**2005**In : Journal of Chemical Physics. 123, 13,Non-Born-Oppenheimer calculations of the pure vibrational spectrum of HeH

^{+}Pavanello, M., Bubin, S., Molski, M., Adamowicz, L.,

**2005**In : Journal of Chemical Physics. 123, 10,Non-Born-Oppenheimer variational calculations of HT

^{+}bound states with zero angular momentumBednarz, E., Bubin, S., Adamowicz, L.,

**2005**In : Journal of Chemical Physics. 122, 16,Integrals for non-Born-Oppenheimer calculations of molecules with three nuclei

Bednarz, E., Bubin, S., Adamowicz, L.,

**2005**In : Molecular Physics. 103, 6-8, p. 1169-1182Nucleus-nucleus correlation function in non-Born-Oppenheimer molecular calculations: Vibrationally excited states of HD+

Bubin, S., Adamowicz, L.,

**2005**In : Chemical Physics Letters. 403, 1-3, p. 185-191Non-born-oppenheimer variational calculations of atoms and molecules with explicitly correlated Gaussian basis functions

Bubin, S., Cafiero, M., Adamowicz, L.,

**2005**In : Advances in Chemical Physics. 131, p. 377-475Charge asymmetry in HD

^{+}Bubin, S., Bednarz, E., Adamowicz, L.,

**2005**In : Journal of Chemical Physics. 122, 4,Nonrelativistic molecular quantum mechanics without approximations: Electron affinities of LiH and LiD

Bubin, S., Adamowicz, L.,

**2004**In : Journal of Chemical Physics. 121, 13, p. 6249-6253Non-Born-Oppenheimer study of positronic molecular systems: e

^{+}LiHBubin, S., Adamowicz, L.,

**2004**In : Journal of Chemical Physics. 120, 13, p. 6051-6055Non-Born-Oppenheimer calculations of atoms and molecules

Cafiero, M., Bubin, S., Adamowicz, L.,

**2003**In : Physical Chemistry Chemical Physics. 5, 8, p. 1491-1501Variational calculations of excited states with zero total angular momentum (vibrational spectrum) of H2 without use the Born-Oppenheimer approximation

Bubin, S., Adamowicz, L.,

**2003**In : Journal of Chemical Physics. 118, 7, p. 3079-3082