SOME ADVANTAGES OF THE VALENCE BOND METHOD FOR THE CALCULATION OF POTENTIAL SURFACES - SELECTION OF THE CONFIGURATIONS AND APPROXIMATE METHOD

被引:19
作者
HIBERTY, PC
LEFOUR, JM
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关键词
D O I
10.1051/jcp/1987840607
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
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页码:607 / 614
页数:8
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共 18 条
[1]   MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2- [J].
BALINTKURTI, GG ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :478-+
[2]   CONVERGENCE OF VALENCE BOND AND MOLECULAR-ORBITAL THEORIES [J].
CAMPION, WJ ;
KARPLUS, M .
MOLECULAR PHYSICS, 1973, 25 (04) :921-936
[3]  
CARTWRIGHT DC, 1979, J CHEM PHYS, V70, P191
[4]  
COLBURN EA, 1976, CAN J PHYS, V54, P343
[5]  
Dunning T., 1977, METHODS ELECT STRUCT, P1
[7]  
HAY PJ, 1978, J CHEM PHYS, V68, P59
[8]   THE ULTRA-VIOLET SPECTRA OF HF AND DF [J].
JOHNS, JWC ;
BARROW, RF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1959, 251 (1267) :504-518
[9]  
NORBECK JM, 1974, J AM CHEM SOC, V96, P386
[10]  
RAIMONDI M, 1983, J CHEM PHYS, V79, P339