Molecular properties calculations using the q-integral method

International Journal of Quantum Chemistry

Volumn 108, Issue 13, 2008, Pages 2540-2549

  De Oliveira, Heibbe C B ^a,b   Esteves, Cristiano S ^a   Gargano, Ricardo ^a   Do Nascimento, Marco A Chaer ^c   Malbouisson, Luiz A C ^d   Mundim, Kleber C ^a  

^a UNIVERSITY OF BRASILIA   (Brazil)

^b UNIVERSIDADE ESTADUAL DE GOIÁS   (Brazil)

^c FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^d FEDERAL UNIVERSITY OF BAHIA   (Brazil)

Author keywords

H2 molecular properties; Q integral method; Q morse function; Two electron integrals

Indexed keywords

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB-INITIO; ALTERNATIVE APPROACH; CPU TIME; EXPONENTIAL FUNCTIONS; H2 MOLECULAR PROPERTIES; INTEGRAL METHODS; INTER-NUCLEAR DISTANCES; MOLECULAR PROPERTIES; MOLECULAR SYSTEMS; POTENTIAL-ENERGY SURFACE; Q-INTEGRAL METHOD; Q-MORSE FUNCTION; QUANTUM-MECHANICAL CALCULATIONS; TWO-ELECTRON INTEGRALS;

INTEGRAL EQUATIONS;

EID: 52449116831     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21706     Document Type: Conference Paper

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