DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO CALCULATIONS

[1] COMPARISON OF MINIMIZATION PROCEDURES FOR UHF WAVE FUNCTIONS [J]. THEORETICA CHIMICA ACTA, 1971, 22 (04): : 399 - &

[2] DAVIES D, 1969, OPTIMISATION

[3] OPTIMIZATION OF SCF LCAO WAVE FUNCTIONS [J]. MOLECULAR PHYSICS, 1970, 19 (01) : 55 - &

[4] FUNCTION MINIMIZATION BY CONJUGATE GRADIENTS [J]. COMPUTER JOURNAL, 1964, 7 (02) : 149 - &

[5] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[6] Direct minimisation of the energy functional in some open-shell LCAO calculations on atoms [J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 149 - 152

[7] LANCASTER P, 1969, THEORY MATRICES, pCH7

[8] MCWEENY R, 1970, INT J QUANTUM CHEM, V4, P97

[9] SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS [J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 179 - 185

[10] [No title captured]

[1] COMPARISON OF MINIMIZATION PROCEDURES FOR UHF WAVE FUNCTIONS [J]. THEORETICA CHIMICA ACTA, 1971, 22 (04): : 399 - &

[2] DAVIES D, 1969, OPTIMISATION

[3] OPTIMIZATION OF SCF LCAO WAVE FUNCTIONS [J]. MOLECULAR PHYSICS, 1970, 19 (01) : 55 - &

[4] FUNCTION MINIMIZATION BY CONJUGATE GRADIENTS [J]. COMPUTER JOURNAL, 1964, 7 (02) : 149 - &

[5] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[6] Direct minimisation of the energy functional in some open-shell LCAO calculations on atoms [J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 149 - 152

[7] LANCASTER P, 1969, THEORY MATRICES, pCH7

[8] MCWEENY R, 1970, INT J QUANTUM CHEM, V4, P97

[9] SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS [J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 179 - 185

[10] [No title captured]