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1

Theory and application of explicitly correlated Gaussians

Mitroy, Jim, Bubin, Sergiy, Horiuchi, Wataru, Suzuki, Yasuyuki, Adamowicz, Ludwik, Cencek, Wojciech, Szalewicz, Krzysztof, Komasa, Jacek, Blume, D., Varga, Kálmán

Journal:

Review of Modern Physics

Year:

2013

Language:

english

File:

PDF, 2.58 MB

english, 2013

2

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

Sergiy Bubin, Ludwik Adamowicz

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 309 KB

english, 2005

3

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

Sergiy Bubin, Filip Leonarski, Monika Stanke, Ludwik Adamowicz

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 414 KB

english, 2009

4

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

Sergiy Bubin, Monika Stanke, Marcin Molski, Ludwik Adamowicz

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 200 KB

english, 2010

5

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

Sergiy Bubin, Monika Stanke, Ludwik Adamowicz

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 172 KB

english, 2010

6

Accurate Born–Oppenheimer calculations of the low-lying c3Σ and a3Σ excited states of helium dimer

Michele Pavanello, Mauricio Cafiero, Sergiy Bubin, Ludwik Adamowicz

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 163 KB

english, 2008

7

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

Driscoll, Joseph A., Cook, Brandon, Bubin, Sergiy, Varga, Kalman

Journal:

Journal of Applied Physics

Year:

2011

Language:

english

File:

PDF, 906 KB

english, 2011

8

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

Driscoll, Joseph, Bubin, Sergiy, Varga, Kálmán

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 287 KB

english, 2011

9

Born–Oppenheimer and Non-Born–Oppenheimer, Atomic and Molecular Calculations with Explicitly Correlated Gaussians

Bubin, Sergiy, Pavanello, Michele, Tung, Wei-Cheng, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Chemical Reviews

Year:

2013

Language:

english

File:

PDF, 3.78 MB

english, 2013

10

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

Bubin, Sergiy, Atkinson, Mackenzie, Varga, Kálmán, Xie, Xinhua, Roither, Stefan, Kartashov, Daniil, Baltuška, Andrius, Kitzler, Markus

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 1.06 MB

english, 2012

11

Variational calculations of excited states with zero total angular momentum (vibrational spectrum) of H[sub 2] without use of the Born–Oppenheimer approximation

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 354 KB

english, 2003

12

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

Bubin, Sergiy, Adamowicz, Ludwik, Molski, Marcin

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 296 KB

english, 2005

13

Convergence of Experiment and Theory on the Pure Vibrational Spectrum of

Stanke, Monika, Kędziera, Dariusz, Molski, Marcin, Bubin, Sergiy, Barysz, Maria, Adamowicz, Ludwik

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 83 KB

english, 2006

14

electrons using all-electron explicitly correlated Gaussian basis functions

Sharkey, Keeper L., Pavanello, Michele, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 153 KB

english, 2009

15

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

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 360 KB

english, 2004

16

Electron affinity of [sup 7]Li calculated with the inclusion of nuclear motion and relativistic corrections

Stanke, Monika, Kȩdziera, Dariusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 379 KB

english, 2007

17

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

Kedziera, Dariusz, Stanke, Monika, Bubin, Sergiy, Barysz, Maria, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 452 KB

english, 2006

18

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

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 436 KB

english, 2006

19

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

Bednarz *, Eugeniusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 227 KB

english, 2005

20

Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 107 KB

english, 2013

21

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

Bubin, Sergiy, Varga, Kálmán

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 879 KB

english, 2012

22

Improved calculations of the lowest vibrational transitions in

Bubin, Sergiy, Stanke, Monika, Kȩdziera, Dariusz, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 112 KB

english, 2007

23

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

Bubin, Sergiy, Stanke, Monika, Kȩdziera, Dariusz, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 138 KB

english, 2007

24

Non-Born–Oppenheimer calculations of atoms and molecules

Cafiero, Mauricio, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 195 KB

english, 2003

25

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

Driscoll, Joseph A, Bubin, Sergiy, French, William R, Varga, Kalman

Journal:

Year:

2011

Language:

english

File:

PDF, 295 KB

english, 2011

26

Charge asymmetry in HD[sup +]

Bubin, Sergiy, Bednarz, Eugeniusz, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 298 KB

english, 2005

27

Nonrelativistic variational calculations of the positronium molecule and the positronium hydride

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 69 KB

english, 2006

28

Lowest Excitation Energy of

Stanke, Monika, Kędziera, Dariusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 94 KB

english, 2007

29

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

Sharkey, Keeper L., Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 82 KB

english, 2011

30

Ground-state energy and relativistic corrections for positronium hydride

Bubin, Sergiy, Varga, Kálmán

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 167 KB

english, 2011

31

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

Bubin, Sergiy, Stanke, Monika, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 228 KB

english, 2011

32

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

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 174 KB

english, 2011

33

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

Sharkey, Keeper L., Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 99 KB

english, 2011

34

) transition in the doubly ionized carbon ion

Bubin, Sergiy, Komasa, Jacek, Stanke, Monika, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 136 KB

english, 2010

35

Simulation of high-energy ion collisions with graphene fragments

Bubin, Sergiy, Wang, Bin, Pantelides, Sokrates, Varga, Kálmán

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 721 KB

english, 2012

36

Non-Born–Oppenheimer study of positronic molecular systems: e[sup +]LiH

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 297 KB

english, 2004

37

Analytical energy gradient in variational calculations of the two lowest [sup 3]P states of the carbon atom with explicitly correlated Gaussian basis functions

Sharkey, Keeper L., Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 395 KB

english, 2010

38

: Non-Born-Oppenheimer calculations

Stanke, Monika, Kȩdziera, Dariusz, Bubin, Sergiy, Molski, Marcin, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 98 KB

english, 2007

39

Non-Born–Oppenheimer variational calculations of HT[sup +] bound states with zero angular momentum

Bednarz, Eugeniusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 616 KB

english, 2005

40

excitation in the Li atom using explicitly correlated Gaussian basis functions

Stanke, Monika, Komasa, Jacek, Kȩdziera, Dariusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2008

Language:

english

File:

PDF, 119 KB

english, 2008

41

calculated with including nuclear motion and relativistic and QED corrections

Stanke, Monika, Komasa, Jacek, Kędziera, Dariusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2008

Language:

english

File:

PDF, 114 KB

english, 2008

42

Role of proton dynamics in efficient photoionization of hydrocarbon molecules

Xie, Xinhua, Roither, Stefan, Schöffler, Markus, Xu, Huailiang, Bubin, Sergiy, Lötstedt, Erik, Erattuphuza, Sonia, Iwasaki, Atsushi, Kartashov, Daniil, Varga, Kálmán, G. Paulus, Gerhard, Baltuška, And

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 737 KB

english, 2014

43

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

Stanke, Monika, Kędziera, Dariusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2008

Language:

english

File:

PDF, 80 KB

english, 2008

44

states of the beryllium atom

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 87 KB

english, 2009

45

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

Stanke, Monika, Komasa, Jacek, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 97 KB

english, 2009

46

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

Stanke, Monika, Bubin, Sergiy, Molski, Marcin, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 175 KB

english, 2009

47

Excited States of Positronic Lithium and Beryllium

Bubin, Sergiy, Prezhdo, Oleg V.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 1.24 MB

english, 2013

48

ions calculated without assuming the Born-Oppenheimer approximation and with including leading relativistic corrections

Stanke, Monica, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 74 KB

english, 2009

49

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

Bubin, Sergiy, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 331 KB

english, 2014

50

calculated including nuclear motion and relativistic corrections

Stanke, Monika, Kȩdziera, Dariusz, Bubin, Sergiy, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 76 KB

english, 2007

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