The use of neural networks for fitting potential energy surfaces: A comparative case study for the H3+ molecule

International Journal of Quantum Chemistry

Volumn 95, Issue 3, 2003, Pages 281-288

  Rocha Filho, T M ^a,b   Oliveira Jr , Z R ^b   Malbouisson, L A C ^b   Gargano, R ^a   Soares Neto, J J ^a  

^a UNIVERSITY OF BRASILIA   (Brazil)

^b FEDERAL UNIVERSITY OF BAHIA   (Brazil)

Author keywords

H3+ molecule; Neural networks; Potential energy surface; Vibrational energy

Indexed keywords

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; HYDROGEN; MOLECULAR PHYSICS; MOLECULAR VIBRATIONS; NEURAL NETWORKS; POLYNOMIALS; POSITIVE IONS;

CHEMICAL REACTION DYNAMICS; POTENTIAL ENERGY SURFACE; QUANTUM CHEMISTRY; VIBRATIONAL ENERGY;

QUANTUM THEORY;

EID: 0141938557     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10696     Document Type: Article

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