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1

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

Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 119 KB

english, 2014

2

Singlet–triplet energy splitting between 1D and 3D (1s22snd), n=3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

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

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 254 KB

english, 2014

3

A comparison of two types of explicitly correlated Gaussian functions for non-Born-Oppenheimer molecular calculations using a model potential

Formanek, Martin, Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 428 KB

english, 2014

4

Lifetimes of rovibrational levels of

Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 290 KB

english, 2014

5

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

6

Non-Born–Oppenheimer variational method for calculation of rotationally excited binuclear systems

Kirnosov, Nikita, Sharkey, Keeper L, Adamowicz, Ludwik

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2015

Language:

english

File:

PDF, 466 KB

english, 2015

7

Para–ortho isomerization of H2+. Non-Born–Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions

Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

8

An algorithm for nonrelativistic quantum-mechanical finite-nuclear-mass variational calculations of nitrogen atom in L = 0, M = 0 states using all-electrons explicitly correlated Gaussian basis functions

Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 234 KB

english, 2014

9

[Phys. Rev. A 89 , 012513 (2014)]

Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2014

File:

PDF, 29 KB

2014

10

An algorithm for quantum mechanical finite-nuclear-mass variational calculations of atoms with L = 3 using all-electron explicitly correlated Gaussian basis functions

Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 256 KB

english, 2013

11

Analytical energy gradient used in variational Born-Oppenheimer calculations with all-electron explicitly correlated Gaussian functions for molecules containing one π electron

Tung, Wei-Cheng, Pavanello, Michele, Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 180 KB

english, 2013

12

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

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

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 136 KB

english, 2011

13

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

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

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 109 KB

english, 2013

14

Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions

Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

15

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

16

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

17

Charge asymmetry in the rovibrationally excited HD molecule

Kirnosov, Nikita, Sharkey, Keeper, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 992 KB

english, 2014

18

Charge asymmetry and rovibrational excitations of HD +

Jones, Keith, Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 757 KB

english, 2016

19

Exponentially and pre-exponentially correlated Gaussians for atomic quantum calculations

Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 394 KB

english, 2011

20

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

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

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 362 KB

english, 2012

21

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

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

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 94 KB

english, 2011

22

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

23

Non-Born-Oppenheimer method for direct variational calculations of diatomic first excited rotational states using explicitly correlated all-particle Gaussian functions

Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 81 KB

english, 2013

24

An algorithm for non-Born-Oppenheimer quantum mechanical variational calculations of N = 1 rotationally excited states of diatomic molecules using all-particle explicitly correlated Gaussian functions

Sharkey, Keeper L., Kirnosov, N., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 601 KB

english, 2013

25

Ortho–para nuclear-spin isomerization energies for all bound vibrational states of ditritium (T2) from non-Born–Oppenheimer variational calculations performed with explicitly correlated all-particle Gaussian functions

Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.30 MB

english, 2015

26

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

27

Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D2 performed with explicitly correlated all-particle Gaussian functions

Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 294 KB

english, 2015

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