NEW METHODS FOR ELECTRONIC-STRUCTURE CALCULATIONS ON LARGE MOLECULES

[41] A METHOD FOR 2-ELECTRON GAUSSIAN INTEGRAL AND INTEGRAL DERIVATIVE EVALUATION USING RECURRENCE RELATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (09) : 5777 - 5786

[42] MP2 ENERGY EVALUATION BY DIRECT METHODS [J]. CHEMICAL PHYSICS LETTERS, 1988, 153 (06) : 503 - 506

[43] Hehre W.A., 1970, GAUSSIAN 70 QUANTUM

[44] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) : 1397 - &

[45] INHOMOGENEOUS ELECTRON-GAS [J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919

[46] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &

[47] JONES RO, 1987, SINGLE PARTICLE DENS, P73

[48] FREE-ENERGY CALCULATIONS - A BREAKTHROUGH FOR MODELING ORGANIC-CHEMISTRY IN SOLUTION [J]. ACCOUNTS OF CHEMICAL RESEARCH, 1989, 22 (05) : 184 - 189

[49] LOCAL SPACE APPROXIMATION FOR CONFIGURATION-INTERACTION AND COUPLED CLUSTER WAVE-FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 2791 - 2796

[50] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &

[41] A METHOD FOR 2-ELECTRON GAUSSIAN INTEGRAL AND INTEGRAL DERIVATIVE EVALUATION USING RECURRENCE RELATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (09) : 5777 - 5786

[42] MP2 ENERGY EVALUATION BY DIRECT METHODS [J]. CHEMICAL PHYSICS LETTERS, 1988, 153 (06) : 503 - 506

[43] Hehre W.A., 1970, GAUSSIAN 70 QUANTUM

[44] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) : 1397 - &

[45] INHOMOGENEOUS ELECTRON-GAS [J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919

[46] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &

[47] JONES RO, 1987, SINGLE PARTICLE DENS, P73

[48] FREE-ENERGY CALCULATIONS - A BREAKTHROUGH FOR MODELING ORGANIC-CHEMISTRY IN SOLUTION [J]. ACCOUNTS OF CHEMICAL RESEARCH, 1989, 22 (05) : 184 - 189

[49] LOCAL SPACE APPROXIMATION FOR CONFIGURATION-INTERACTION AND COUPLED CLUSTER WAVE-FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 2791 - 2796

[50] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &