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) ◽

Author(s):

Sergiy Bubin ◽

Ludwik Adamowicz

Keyword(s):

Energy Levels ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Gaussian Functions ◽

Explicitly Correlated

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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 ◽

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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Refinement of the experimental energy levels of higher2DRydberg states of the lithium atom with very accurate quantum mechanical calculations

The Journal of Chemical Physics ◽

10.1063/1.3591836 ◽

2011 ◽

Vol 134 (19) ◽

pp. 194114 ◽

Author(s):

Keeper L. Sharkey ◽

Sergiy Bubin ◽

Ludwik Adamowicz

Keyword(s):

Lithium Atom ◽

Energy Levels ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Experimental Energy

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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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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 ◽

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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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) ◽

Author(s):

Keeper L. Sharkey ◽

Sergiy Bubin ◽

Ludwik Adamowicz

Keyword(s):

Quantum Mechanical ◽

Gaussian Functions ◽

Explicitly Correlated

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Exact quantum mechanical calculations of rovibrational energy levels of hydrogen peroxide (HOOH)

The Journal of Chemical Physics ◽

10.1063/1.1602065 ◽

2003 ◽

Vol 119 (12) ◽

pp. 5867-5873 ◽

Author(s):

Shi Ying Lin ◽

Hua Guo

Keyword(s):

Hydrogen Peroxide ◽

Energy Levels ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

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Energy levels and dynamics of vibrational predissociation of NeCl2: Approximate quantum mechanical calculations.

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80457-3 ◽

1988 ◽

Vol 166 ◽

pp. 325-333 ◽

Author(s):

P. Villarreal ◽

G. Delgado-Barrio ◽

J. Campos-Martinez ◽

O. Roncero

Keyword(s):

Energy Levels ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Vibrational Predissociation

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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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Quantum-mechanical calculations of atoms charge state in Cd2P3Cl(Br,I) single crystals

Scientific Herald of Uzhhorod University Series Physics ◽

10.24144/2415-8038.2003.13.95-105 ◽

2003 ◽

Vol 13 (0) ◽

pp. 95-105

Author(s):

В. М. Жихарев ◽

І. Д. Сейковський

Keyword(s):

Single Crystals ◽

Charge State ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations

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Vibrational Spectra, Quantum Mechanical Calculations and Molecular Docking Analysis of (2E,4E,6E,8E)-9- (4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethylnona-2,4,6,8-Tetraenoic Acid

Journal of Chemistry and Chemical Sciences ◽

10.29055/jccs/573 ◽

2018 ◽

Vol 8 (2) ◽

pp. 178-198

Author(s):

P. Chakkaravarthy ◽

S. Syed Shafi

Keyword(s):

Molecular Docking ◽

Vibrational Spectra ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Tetraenoic Acid ◽

Docking Analysis ◽

Molecular Docking Analysis

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