AN APPROXIMATE HESSIAN FOR MOLECULAR-GEOMETRY OPTIMIZATION

[1] INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP THEORY FOR TRANSITION-METAL COMPLEXES - FE, CO AND CU CHLORIDES [J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 21 - 54

[2] QUASI-NEWTON METHODS AND THEIR APPLICATION TO FUNCTION MINIMISATION [J]. MATHEMATICS OF COMPUTATION, 1967, 21 (99) : 368 - &

[3] COVES TC, 1969, J CHEM PHYS, V50, P3649

[4] The stark effect from the point of view of Schroedinger's quantum theory [J]. PHYSICAL REVIEW, 1926, 28 (04): : 0695 - 0710

[5] A NEW APPROACH TO VARIABLE METRIC ALGORITHMS [J]. COMPUTER JOURNAL, 1970, 13 (03) : 317 - &

[6] Fletcher R., 1980, PRACTICAL METHODS OP, VVolume 1

[7] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .2. APPLICATIONS TO LIMITED BASIS-SET SCF-MO WAVEFUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) : 1730 - &

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

[9] Gill PE, 1981, PRACTICAL OPTIMIZATI

[10] A FAMILY OF VARIABLE-METRIC METHODS DERIVED BY VARIATIONAL MEANS [J]. MATHEMATICS OF COMPUTATION, 1970, 24 (109) : 23 - &

[1] INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP THEORY FOR TRANSITION-METAL COMPLEXES - FE, CO AND CU CHLORIDES [J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 21 - 54

[2] QUASI-NEWTON METHODS AND THEIR APPLICATION TO FUNCTION MINIMISATION [J]. MATHEMATICS OF COMPUTATION, 1967, 21 (99) : 368 - &

[3] COVES TC, 1969, J CHEM PHYS, V50, P3649

[4] The stark effect from the point of view of Schroedinger's quantum theory [J]. PHYSICAL REVIEW, 1926, 28 (04): : 0695 - 0710

[5] A NEW APPROACH TO VARIABLE METRIC ALGORITHMS [J]. COMPUTER JOURNAL, 1970, 13 (03) : 317 - &

[6] Fletcher R., 1980, PRACTICAL METHODS OP, VVolume 1

[7] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .2. APPLICATIONS TO LIMITED BASIS-SET SCF-MO WAVEFUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) : 1730 - &

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

[9] Gill PE, 1981, PRACTICAL OPTIMIZATI

[10] A FAMILY OF VARIABLE-METRIC METHODS DERIVED BY VARIATIONAL MEANS [J]. MATHEMATICS OF COMPUTATION, 1970, 24 (109) : 23 - &