NON-RELATIVISTIC ALL ELECTRON SCF, MCSCF, AND CL CALCULATIONS ON THE AGH, AUH, AND AG2 MOLECULES

[1] DIRAC-FOCK ONE-CENTER CALCULATIONS - MOLECULES CUH, AGH AND AUH INCLUDING P-TYPE SYMMETRY FUNCTIONS [J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (02) : 300 - 303

[2] ABINITIO STUDIES OF AUH, AUCL, HGH AND HGCL2 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (03) : 984 - 997

[3] Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV

[4] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) : 61 - 72

[5] RELATIVISTIC EFFECTS ON RE AND DE IN AGH AND AUH FROM ALL-ELECTRON DIRAC HARTREE-FOCK CALCULATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (01) : 735 - 736

[6] RELATIVISTIC SELF-CONSISTENT-FIELD METHODS FOR MOLECULES .1. DIRAC-FOCK MULTICONFIGURATION SELF-CONSISTENT-FIELD THEORY FOR MOLECULES AND A SINGLE-DETERMINANT DIRAC-FOCK SELF-CONSISTENT-FIELD METHOD FOR CLOSED-SHELL LINEAR-MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (03) : 1320 - 1328

[7] McLean A. D., 1981, Atomic Data and Nuclear Data Tables, V26, P197, DOI 10.1016/0092-640X(81)90012-7

[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] MCLEAN AD, 1982, CURRENT ASPECTS QUAN, V21, P219

[10] PITZER KS, 1979, ACCOUNTS CHEM RES, V12, P276

[1] DIRAC-FOCK ONE-CENTER CALCULATIONS - MOLECULES CUH, AGH AND AUH INCLUDING P-TYPE SYMMETRY FUNCTIONS [J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (02) : 300 - 303

[2] ABINITIO STUDIES OF AUH, AUCL, HGH AND HGCL2 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (03) : 984 - 997

[3] Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV

[4] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) : 61 - 72

[5] RELATIVISTIC EFFECTS ON RE AND DE IN AGH AND AUH FROM ALL-ELECTRON DIRAC HARTREE-FOCK CALCULATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (01) : 735 - 736

[6] RELATIVISTIC SELF-CONSISTENT-FIELD METHODS FOR MOLECULES .1. DIRAC-FOCK MULTICONFIGURATION SELF-CONSISTENT-FIELD THEORY FOR MOLECULES AND A SINGLE-DETERMINANT DIRAC-FOCK SELF-CONSISTENT-FIELD METHOD FOR CLOSED-SHELL LINEAR-MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (03) : 1320 - 1328

[7] McLean A. D., 1981, Atomic Data and Nuclear Data Tables, V26, P197, DOI 10.1016/0092-640X(81)90012-7

[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] MCLEAN AD, 1982, CURRENT ASPECTS QUAN, V21, P219

[10] PITZER KS, 1979, ACCOUNTS CHEM RES, V12, P276