SYMMETRY AND EQUIVALENCE RESTRICTIONS IN ELECTRONIC-STRUCTURE CALCULATIONS

[1] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077

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

[3] Davidson E, 1976, REDUCED DENSITY MATR

[4] CONFIGURATION INTERACTION CALCULATIONS FOR E-1' TRIMETHYLENEMETHANE [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) : 663 - 666

[5] ELBERT ST, 1980, SOFTWARE CATALOGUE, V1

[6] GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) : 4377 - 4384

[7] EQUIVALENCE-RESTRICTED OPEN-SHELL SCF THEORY [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (05) : 707 - 714

[8] CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1066 - 1078

[9] McWeeny R., 1968, INT J QUANTUM CHEM, V2, P187

[10] CONFIGURATION INTERACTION IN ORBITAL THEORIES [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 230 (1182): : 312 - 321

[1] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077

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

[3] Davidson E, 1976, REDUCED DENSITY MATR

[4] CONFIGURATION INTERACTION CALCULATIONS FOR E-1' TRIMETHYLENEMETHANE [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) : 663 - 666

[5] ELBERT ST, 1980, SOFTWARE CATALOGUE, V1

[6] GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) : 4377 - 4384

[7] EQUIVALENCE-RESTRICTED OPEN-SHELL SCF THEORY [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (05) : 707 - 714

[8] CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1066 - 1078

[9] McWeeny R., 1968, INT J QUANTUM CHEM, V2, P187

[10] CONFIGURATION INTERACTION IN ORBITAL THEORIES [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 230 (1182): : 312 - 321