MULTIREFERENCE CL GRADIENTS AND MCSCF 2ND DERIVATIVES

[1] A QUADRATICALLY CONVERGENT HARTREE-FOCK (QC-SCF) METHOD - APPLICATION TO OPEN-SHELL ORBITAL OPTIMIZATION AND COUPLED PERTURBED HARTREE-FOCK CALCULATIONS [J]. CHEMICAL PHYSICS, 1982, 65 (03) : 383 - 396

[2] 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

[3] STABLE METHODS FOR ACHIEVING MCSCF CONVERGENCE [J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (06) : 3056 - 3067

[4] CAMP RN, 1983, J CHEM PHYS, V79, P1089

[5] DAALGARD E, 1978, J CHEM PHYS, V69, P3833

[6] DAS G, 1980, J CHEM PHYS, V74, P5775

[7] USE OF THE STATE-AVERAGED MCSCF PROCEDURE - APPLICATION TO RADIATIVE TRANSITIONS IN MGO [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (26) : 5098 - 5105

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +

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

[1] A QUADRATICALLY CONVERGENT HARTREE-FOCK (QC-SCF) METHOD - APPLICATION TO OPEN-SHELL ORBITAL OPTIMIZATION AND COUPLED PERTURBED HARTREE-FOCK CALCULATIONS [J]. CHEMICAL PHYSICS, 1982, 65 (03) : 383 - 396

[2] 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

[3] STABLE METHODS FOR ACHIEVING MCSCF CONVERGENCE [J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (06) : 3056 - 3067

[4] CAMP RN, 1983, J CHEM PHYS, V79, P1089

[5] DAALGARD E, 1978, J CHEM PHYS, V69, P3833

[6] DAS G, 1980, J CHEM PHYS, V74, P5775

[7] USE OF THE STATE-AVERAGED MCSCF PROCEDURE - APPLICATION TO RADIATIVE TRANSITIONS IN MGO [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (26) : 5098 - 5105

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +

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