Quantum Monte Carlo and genetic algorithm study of the potential energy surface of the H5+ molecule

International Journal of Quantum Chemistry

Volumn 108, Issue 13, 2008, Pages 2318-2325

  E Silva, Geraldo M ^a   Gargano, Ricardo ^a   Da Silva, Washington B ^a   Roncaratti, Luiz F ^b   Acioli, Paulo H ^c  

^a UNIVERSITY OF BRASILIA   (Brazil)

^b UNIVERSITY OF PERUGIA   (Italy)

^c NORTHEASTERN ILLINOIS UNIVERSITY   (United States)

Author keywords

Correlation function quantum Monte Carlo; Genetic algorithm; H 5+ molecule; Vibrational spectrum

Indexed keywords

GENETIC ALGORITHMS; MOLECULAR SPECTROSCOPY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CORRELATION FUNCTION QUANTUM MONTE CARLO; GENETIC ALGORITHM; H 5+ MOLECULE; QUANTUM MONTE CARLO; VIBRATIONAL SPECTRUM;

POTENTIAL ENERGY;

EID: 52449084231     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21599     Document Type: Conference Paper

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