Calculation of One-Center Integrals in Parametric Methods Using Simulated Annealing and Simplex Methods

International Journal of Quantum Chemistry

Volumn 96, Issue 4, 2004, Pages 303-311

  Ruette, F ^a   Sanchez M ^b   Mendoza, C ^a   Sierraalta, A ^a   Martorell, G ^a   Gonzalez C ^c  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b UNIVERSIDAD CENTRAL DE VENEZUELA   (Venezuela)

^c NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

Atomic calculation; Atomic excitations; Atomic parameters; Parametric methods; Semiempirical

Indexed keywords

ATOMIC CALCULATION; ATOMIC EXCITATIONS; ATOMIC PARAMETERS; PARAMETRIC METHODS; REPULSION ENERGY; SEMIEMPIRICAL;

CHEMICAL BONDS; ELECTRONS; HAMILTONIANS; LAPLACE TRANSFORMS;

SIMULATED ANNEALING;

EID: 0842269188     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10718     Document Type: Conference Paper

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