BASIS-SETS FOR MOLECULAR CALCULATIONS

[1] ADNZELM J, 1984, GAUSSIAN BASIS SETS

[2] AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638

[3] PNO-CI (PAIR NATURAL-ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .3. MOLECULES MGH2, ALH3, SIH4, PH3 (PLANAR AND PYRAMIDAL), H2S, HCL, AND AR ATOM [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) : 455 - 463

[4] ELECTRONIC WAVE FUNCTIONS FOR POLYATOMIC MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (03) : 736 - 737

[5] BASIS SET EFFECTS IN HARTREE-FOCK STUDIES ON AROMATIC-MOLECULES - HARTREE-FOCK CALCULATIONS OF PROPERTIES IN BENZENE AND HEXAFLUOROBENZENE [J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (05) : 2284 - 2294

[6] MIXED BASIS FUNCTIONS IN MOLECULAR QUANTUM-MECHANICS .1. COMPUTATIONAL METHODS AND A PRELIMINARY STUDY OF HELIUM ATOM [J]. THEORETICA CHIMICA ACTA, 1972, 26 (01): : 1 - &

[7] BAGUS PS, 1972, HARTREE FOCK WAVE FU

[8] EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) : 5956 - 5965

[9] EVEN-TEMPERED ATOMIC ORBITALS .6. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (03) : 918 - 931

[10] ON CORRELATION IN THE 1ST ROW TRANSITION-METAL ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (02) : 1033 - 1039

[1] ADNZELM J, 1984, GAUSSIAN BASIS SETS

[2] AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638

[3] PNO-CI (PAIR NATURAL-ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .3. MOLECULES MGH2, ALH3, SIH4, PH3 (PLANAR AND PYRAMIDAL), H2S, HCL, AND AR ATOM [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) : 455 - 463

[4] ELECTRONIC WAVE FUNCTIONS FOR POLYATOMIC MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (03) : 736 - 737

[5] BASIS SET EFFECTS IN HARTREE-FOCK STUDIES ON AROMATIC-MOLECULES - HARTREE-FOCK CALCULATIONS OF PROPERTIES IN BENZENE AND HEXAFLUOROBENZENE [J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (05) : 2284 - 2294

[6] MIXED BASIS FUNCTIONS IN MOLECULAR QUANTUM-MECHANICS .1. COMPUTATIONAL METHODS AND A PRELIMINARY STUDY OF HELIUM ATOM [J]. THEORETICA CHIMICA ACTA, 1972, 26 (01): : 1 - &

[7] BAGUS PS, 1972, HARTREE FOCK WAVE FU

[8] EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) : 5956 - 5965

[9] EVEN-TEMPERED ATOMIC ORBITALS .6. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (03) : 918 - 931

[10] ON CORRELATION IN THE 1ST ROW TRANSITION-METAL ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (02) : 1033 - 1039