DERIVATIVE STUDIES IN CONFIGURATION-INTERACTION THEORY

[1] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I. [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) : 1719 - &

[2] GRADIENT TECHNIQUES FOR OPEN-SHELL RESTRICTED HARTREE-FOCK AND MULTICONFIGURATION SELF-CONSISTENT-FIELD METHODS [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04) : 1525 - 1530

[3] ACCURACY OF AH EQUILIBRIUM GEOMETRIES BY SINGLE DETERMINANT MOLECULAR-ORBITAL THEORY [J]. MOLECULAR PHYSICS, 1974, 27 (01) : 209 - 214

[4] INTRINSIC REACTION COORDINATE - AN ABINITIO CALCULATION FOR HNC-]HCN AND H-+CH4-]CH4+H- [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) : 2153 - 2156

[5] ENERGY GRADIENT IN A MULTI-CONFIGURATIONAL SCF FORMALISM AND ITS APPLICATION TO GEOMETRY OPTIMIZATION OF TRIMETHYLENE DIRADICALS [J]. CHEMICAL PHYSICS LETTERS, 1979, 65 (01) : 19 - 25

[6] KRISHNAN R, UNPUBLISHED

[7] POPLE JA, 1977, INT J QUANTUM CHEM, P149

[8] POPLE JA, UNPUBLISHED

[9] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J]. MOLECULAR PHYSICS, 1969, 17 (02) : 197 - &

[10] AB-INITIO CALCULATION OF FORCE FIELD OF ETHYLENE [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 40 (01) : 59 - &

[1] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I. [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) : 1719 - &

[2] GRADIENT TECHNIQUES FOR OPEN-SHELL RESTRICTED HARTREE-FOCK AND MULTICONFIGURATION SELF-CONSISTENT-FIELD METHODS [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04) : 1525 - 1530

[3] ACCURACY OF AH EQUILIBRIUM GEOMETRIES BY SINGLE DETERMINANT MOLECULAR-ORBITAL THEORY [J]. MOLECULAR PHYSICS, 1974, 27 (01) : 209 - 214

[4] INTRINSIC REACTION COORDINATE - AN ABINITIO CALCULATION FOR HNC-]HCN AND H-+CH4-]CH4+H- [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) : 2153 - 2156

[5] ENERGY GRADIENT IN A MULTI-CONFIGURATIONAL SCF FORMALISM AND ITS APPLICATION TO GEOMETRY OPTIMIZATION OF TRIMETHYLENE DIRADICALS [J]. CHEMICAL PHYSICS LETTERS, 1979, 65 (01) : 19 - 25

[6] KRISHNAN R, UNPUBLISHED

[7] POPLE JA, 1977, INT J QUANTUM CHEM, P149

[8] POPLE JA, UNPUBLISHED

[9] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J]. MOLECULAR PHYSICS, 1969, 17 (02) : 197 - &

[10] AB-INITIO CALCULATION OF FORCE FIELD OF ETHYLENE [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 40 (01) : 59 - &