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 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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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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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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Exponentially correlated Gaussian functions in variational calculations: Energy expectation values in the ground state helium dimer

The Journal of Chemical Physics ◽

10.1063/1.478696 ◽

1999 ◽

Vol 110 (16) ◽

pp. 7909-7916 ◽

Author(s):

Jacek Komasa

Keyword(s):

Ground State ◽

Expectation Values ◽

Gaussian Functions ◽

Variational Calculations ◽

Energy Expectation

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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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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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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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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 ◽

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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Exponentially correlated Gaussian functions in variational calculations: Quadrupole moment for the ground state of helium dimer

The Journal of Chemical Physics ◽

10.1063/1.481311 ◽

2000 ◽

Vol 112 (16) ◽

pp. 7075-7079 ◽

Author(s):

Jacek Komasa

Keyword(s):

Quadrupole Moment ◽

Ground State ◽

Gaussian Functions ◽

Variational Calculations

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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

Chemical Physics Letters ◽

10.1016/j.cplett.2015.10.017 ◽

2015 ◽

Vol 640 ◽

pp. 61-67

Author(s):

Nikita Kirnosov ◽

Keeper L. Sharkey ◽

Ludwik Adamowicz

Keyword(s):

Nuclear Spin ◽

Vibrational States ◽

Gaussian Functions ◽

Variational Calculations ◽

Explicitly Correlated

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