OPTIMIZATION OF SCF LCAO WAVE FUNCTIONS

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

[2] FLETCHER R, 1966, COMMUN ACM, V9, P686, DOI 10.1145/365813.365833

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

[4] Fletcher R., 1969, J I MATH APPL, V5, P162

[5] HINZE J, 1967, PROGR THEORET PHYS S, P37

[6] MCWEENY R, 1956, P R SOC LONDON A, V223, P306

[7] USE OF GAUSSIAN FUNCTIONS IN CALCULATION OF WAVEFUNCTIONS FOR SMALL MOLECULES .1. PRELIMINARY INVESTIGATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) : 1 - &

[8] USE OF GAUSSIAN FUNCTIONS IN CALCULATION OF WAVEFUNCTIONS FOR SMALL MOLECULES .3. ORBITAL BASIS AND ITS EFFECT ON VALENCE [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (12) : 4073 - &

[9] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J]. REVIEWS OF MODERN PHYSICS, 1951, 23 (02) : 69 - 89

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

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

[2] FLETCHER R, 1966, COMMUN ACM, V9, P686, DOI 10.1145/365813.365833

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

[4] Fletcher R., 1969, J I MATH APPL, V5, P162

[5] HINZE J, 1967, PROGR THEORET PHYS S, P37

[6] MCWEENY R, 1956, P R SOC LONDON A, V223, P306

[7] USE OF GAUSSIAN FUNCTIONS IN CALCULATION OF WAVEFUNCTIONS FOR SMALL MOLECULES .1. PRELIMINARY INVESTIGATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) : 1 - &

[8] USE OF GAUSSIAN FUNCTIONS IN CALCULATION OF WAVEFUNCTIONS FOR SMALL MOLECULES .3. ORBITAL BASIS AND ITS EFFECT ON VALENCE [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (12) : 4073 - &

[9] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J]. REVIEWS OF MODERN PHYSICS, 1951, 23 (02) : 69 - 89

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