ON THE EFFICIENT EVALUATION OF ANALYTIC ENERGY GRADIENTS

[1] Adamowic L., 1984, INT J QUANTUM CHEM S, V18, P245

[2] MOLECULAR-PROPERTIES FROM PERTURBATION-THEORY - A UNIFIED TREATMENT OF ENERGY DERIVATIVES [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1985, 27 (06) : 743 - 768

[3] DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S [J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (02) : 185 - 190

[4] STRUCTURE AND HARMONIC VIBRATIONAL FREQUENCIES OF THE CARBON SUBOXIDE MOLECULE USING ANALYTIC DERIVATIVE METHODS [J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (04) : 347 - 352

[5] SCF DIPOLE-MOMENT DERIVATIVES, HARMONIC FREQUENCIES AND INFRARED INTENSITIES FOR C2H2 AND C2H4 [J]. CHEMICAL PHYSICS LETTERS, 1985, 114 (01) : 10 - 14

[6] MC SCF MOLECULAR GRADIENTS AND HESSIANS - COMPUTATIONAL ASPECTS [J]. CHEMICAL PHYSICS, 1984, 87 (02) : 203 - 214

[7] BARTLETT RJ, UNPUB GEOMETRICAL DE

[8] ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) : 4652 - 4653

[9] LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J]. PHYSICA SCRIPTA, 1980, 21 (3-4) : 312 - 322

[10] ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) : 5758 - 5765

[1] Adamowic L., 1984, INT J QUANTUM CHEM S, V18, P245

[2] MOLECULAR-PROPERTIES FROM PERTURBATION-THEORY - A UNIFIED TREATMENT OF ENERGY DERIVATIVES [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1985, 27 (06) : 743 - 768

[3] DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S [J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (02) : 185 - 190

[4] STRUCTURE AND HARMONIC VIBRATIONAL FREQUENCIES OF THE CARBON SUBOXIDE MOLECULE USING ANALYTIC DERIVATIVE METHODS [J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (04) : 347 - 352

[5] SCF DIPOLE-MOMENT DERIVATIVES, HARMONIC FREQUENCIES AND INFRARED INTENSITIES FOR C2H2 AND C2H4 [J]. CHEMICAL PHYSICS LETTERS, 1985, 114 (01) : 10 - 14

[6] MC SCF MOLECULAR GRADIENTS AND HESSIANS - COMPUTATIONAL ASPECTS [J]. CHEMICAL PHYSICS, 1984, 87 (02) : 203 - 214

[7] BARTLETT RJ, UNPUB GEOMETRICAL DE

[8] ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) : 4652 - 4653

[9] LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J]. PHYSICA SCRIPTA, 1980, 21 (3-4) : 312 - 322

[10] ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) : 5758 - 5765