PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS

[1] METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS [J]. THEORETICA CHIMICA ACTA, 1974, 33 (02): : 157 - 167

[2] ALMLOF J, 1974, USIP7429 U STOCKH RE

[3] A QUADRATICALLY CONVERGENT HARTREE-FOCK (QC-SCF) METHOD - APPLICATION TO CLOSED SHELL SYSTEMS [J]. CHEMICAL PHYSICS, 1981, 61 (03) : 385 - 404

[4] ALGORITHM FOR CONSTRUCTION OF FULLY SYMMETRY ADAPTED FOCK MATRICES FOR MOLECULAR HARTREE-FOCK CALCULATIONS [J]. COMPUTERS & CHEMISTRY, 1977, 1 (02): : 95 - 101

[5] CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) : 123 - 134

[6] BONIFACIC V, 1975, J CHEM PHYS, V62, P1509, DOI 10.1063/1.430614

[7] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) : 2779 - 2786

[8] CARBO R, 1980, ADV QUANTUM CHEM, V12, P159

[9] COMPUTER GENERATION OF MOLECULAR SYMMETRY ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (08) : 4125 - &

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

[1] METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS [J]. THEORETICA CHIMICA ACTA, 1974, 33 (02): : 157 - 167

[2] ALMLOF J, 1974, USIP7429 U STOCKH RE

[3] A QUADRATICALLY CONVERGENT HARTREE-FOCK (QC-SCF) METHOD - APPLICATION TO CLOSED SHELL SYSTEMS [J]. CHEMICAL PHYSICS, 1981, 61 (03) : 385 - 404

[4] ALGORITHM FOR CONSTRUCTION OF FULLY SYMMETRY ADAPTED FOCK MATRICES FOR MOLECULAR HARTREE-FOCK CALCULATIONS [J]. COMPUTERS & CHEMISTRY, 1977, 1 (02): : 95 - 101

[5] CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) : 123 - 134

[6] BONIFACIC V, 1975, J CHEM PHYS, V62, P1509, DOI 10.1063/1.430614

[7] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) : 2779 - 2786

[8] CARBO R, 1980, ADV QUANTUM CHEM, V12, P159

[9] COMPUTER GENERATION OF MOLECULAR SYMMETRY ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (08) : 4125 - &

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