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

Keeper L. Sharkey; Sergiy Bubin; Ludwik Adamowicz

doi:10.1103/physreva.84.044503

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

Physical Review A ◽

10.1103/physreva.84.044503 ◽

2011 ◽

Vol 84 (4) ◽

Cited By ~ 4

Author(s):

Keeper L. Sharkey ◽

Sergiy Bubin ◽

Ludwik Adamowicz

Keyword(s):

Quantum Mechanical ◽

Gaussian Functions ◽

Explicitly Correlated

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Prediction of2SRydberg energy levels of6Li and7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions

Physical Review A ◽

10.1103/physreva.87.042510 ◽

2013 ◽

Vol 87 (4) ◽

Cited By ~ 4

Author(s):

Sergiy Bubin ◽

Ludwik Adamowicz

Keyword(s):

Energy Levels ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Gaussian Functions ◽

Explicitly Correlated

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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

The Journal of Chemical Physics ◽

10.1063/1.4826450 ◽

2013 ◽

Vol 139 (16) ◽

pp. 164119 ◽

Cited By ~ 16

Author(s):

Keeper L. Sharkey ◽

N. Kirnosov ◽

Ludwik Adamowicz

Keyword(s):

Excited States ◽

Diatomic Molecules ◽

Quantum Mechanical ◽

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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Molecular structure calculations: A unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation

The Journal of Chemical Physics ◽

10.1063/1.4731696 ◽

2012 ◽

Vol 137 (2) ◽

pp. 024104 ◽

Cited By ~ 45

Author(s):

Edit Mátyus ◽

Markus Reiher

Keyword(s):

Molecular Structure ◽

Quantum Mechanical ◽

Vector Representation ◽

Gaussian Functions ◽

Mechanical Description ◽

Quantum Mechanical Description ◽

Explicitly Correlated ◽

Global Vector ◽

Structure Calculations

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Prediction of2DRydberg energy levels of6Li and7Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions

The Journal of Chemical Physics ◽

10.1063/1.4801855 ◽

2013 ◽

Vol 138 (16) ◽

pp. 164308 ◽

Cited By ~ 3

Author(s):

Sergiy Bubin ◽

Keeper L. Sharkey ◽

Ludwik Adamowicz

Keyword(s):

Energy Levels ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Gaussian Functions ◽

Explicitly Correlated

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Explicitly correlated Gaussian functions in variational calculations: the ground state of helium dimer

Molecular Physics ◽

10.1080/00268979709482781 ◽

1997 ◽

Vol 91 (5) ◽

pp. 909-915 ◽

Cited By ~ 3

Author(s):

JACEK KOMASA ◽

JACEK RYCHLEWSKI

Keyword(s):

Ground State ◽

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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

Chemical Physics Letters ◽

10.1016/j.cplett.2014.12.060 ◽

2015 ◽

Vol 621 ◽

pp. 134-140

Author(s):

Nikita Kirnosov ◽

Keeper L. Sharkey ◽

Ludwik Adamowicz

Keyword(s):

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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Erratum: “Generalized elimination of the global translation from explicitly correlated Gaussian functions” [J. Chem. Phys. 148, 084112 (2018)]

The Journal of Chemical Physics ◽

10.1063/1.5113958 ◽

2019 ◽

Vol 151 (3) ◽

pp. 039901

Author(s):

Andrea Muolo ◽

Edit Mátyus ◽

Markus Reiher

Keyword(s):

Chem Phys ◽

Gaussian Functions ◽

Explicitly Correlated ◽

Global Translation

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Atomic fine-structure calculations performed with a finite-nuclear-mass approach and with all-electron explicitly correlated Gaussian functions

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137476 ◽

2020 ◽

Vol 751 ◽

pp. 137476

Author(s):

Andrzej Kędziorski ◽

Monika Stanke ◽

Ludwik Adamowicz

Keyword(s):

Fine Structure ◽

Nuclear Mass ◽

Gaussian Functions ◽

Explicitly Correlated ◽

Structure Calculations

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The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions

Chemical Physics Letters ◽

10.1016/j.cplett.2019.06.051 ◽

2019 ◽

Vol 730 ◽

pp. 497-505

Author(s):

Amir Bralin ◽

Sergiy Bubin ◽

Monika Stanke ◽

Ludwik Adamowicz

Keyword(s):

Lithium Atom ◽

Rydberg Series ◽

Gaussian Functions ◽

Explicitly Correlated

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

The Journal of Chemical Physics ◽

10.1063/1.4795094 ◽

2013 ◽

Vol 138 (12) ◽

pp. 124101 ◽

Cited By ~ 1

Author(s):

Wei-Cheng Tung ◽

Michele Pavanello ◽

Keeper L. Sharkey ◽

Nikita Kirnosov ◽

Ludwik Adamowicz

Keyword(s):

Gaussian Functions ◽

Energy Gradient ◽

Explicitly Correlated

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