Application of explicitly correlated Gaussian functions for calculations of the ground state of the beryllium atom

Journal of Computational Chemistry ◽

10.1002/jcc.540140509 ◽

1993 ◽

Vol 14 (5) ◽

pp. 566-570 ◽

Author(s):

Eric Schwegler ◽

Pawel M. Kozlowski ◽

Ludwik Adamowicz

Keyword(s):

Ground State ◽

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 ◽

Author(s):

JACEK KOMASA ◽

JACEK RYCHLEWSKI

Keyword(s):

Ground State ◽

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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Explicitly correlated Gaussian functions withr122n factors for calculations of the ground state of the helium atom

Journal of Computational Chemistry ◽

10.1002/jcc.540150810 ◽

1994 ◽

Vol 15 (8) ◽

pp. 893-898 ◽

Author(s):

Zhenghong Zhang ◽

Ludwik Adamowicz

Keyword(s):

Helium Atom ◽

Ground State ◽

Gaussian Functions ◽

Explicitly Correlated

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Newton-Raphson optimization of the explicitly correlated Gaussian functions for calculations of the ground state of the helium atom

Journal of Computational Chemistry ◽

10.1002/jcc.540150107 ◽

1994 ◽

Vol 15 (1) ◽

pp. 54-60 ◽

Author(s):

Zhenghong Zhang ◽

Pawel M. Kozlowski ◽

Ludwik Adamowicz

Keyword(s):

Helium Atom ◽

Ground State ◽

Gaussian Functions ◽

Explicitly Correlated ◽

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Explicitly correlated Gaussian functions in variational calculations: The ground state of the beryllium atom

Physical Review A ◽

10.1103/physreva.52.4500 ◽

1995 ◽

Vol 52 (6) ◽

pp. 4500-4507 ◽

Author(s):

Jacek Komasa ◽

Wojciech Cencek ◽

Jacek Rychlewski

Keyword(s):

Ground State ◽

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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Many‐electron explicitly correlated Gaussian functions. II. Ground state of the helium molecular ion He+2

The Journal of Chemical Physics ◽

10.1063/1.468682 ◽

1995 ◽

Vol 102 (6) ◽

pp. 2533-2538 ◽

Author(s):

Wojciech Cencek ◽

Jacek Rychlewski

Keyword(s):

Ground State ◽

Molecular Ion ◽

Gaussian Functions ◽

Explicitly Correlated

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

Molecular Physics ◽

10.1080/002689797171012 ◽

1997 ◽

Vol 91 (5) ◽

pp. 909-916 ◽

Author(s):

JACEK KOMASA ◽

JACEK RYCHLEWSKI

Keyword(s):

Ground State ◽

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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Newton-Raphson optimization of the explicitly correlated Gaussian functions for the ground state of the beryllium atom

International Journal of Quantum Chemistry ◽

10.1002/qua.560540503 ◽

1995 ◽

Vol 54 (5) ◽

pp. 281-291 ◽

Author(s):

Zhenghong Zhang ◽

Ludwik Adamowicz

Keyword(s):

Ground State ◽

Gaussian Functions ◽

Explicitly Correlated ◽

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Distributed Gaussian basis sets: description of the Hartree-Fock ground state energies of N2, CO and BF using s- and p-type Gaussian functions

Molecular Physics ◽

10.1080/00268979500100971 ◽

1995 ◽

Vol 85 (1) ◽

pp. 103-120 ◽

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Ground State ◽

Gaussian Basis Sets ◽

Gaussian Functions ◽

Hartree Fock ◽

P Type ◽

Ground State Energies

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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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