IMPROVEMENTS ON THE DIRECT SCF METHOD

[1] METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS [J]. THEORETICA CHIMICA ACTA, 1974, 33 (02): : 157 - 167

[2] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) : 385 - 399

[3] AN UNCONVENTIONAL SCF METHOD FOR CALCULATIONS ON LARGE MOLECULES [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) : 274 - 282

[4] On the use of symmetry in SCF calculations [J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 47 - 48

[5] MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1. [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (04) : 613 - 625

[6] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) : 111 - 116

[7] USE OF MOLECULAR SYMMETRY IN SCF CALCULATIONS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (01) : 75 - 85

[8] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .8. A METHOD OF CALCULATING IONIZATION POTENTIALS [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 205 (1083): : 541 - 552

[9] INTEGRAL EVALUATION ALGORITHMS AND THEIR IMPLEMENTATION [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (04) : 1135 - 1153

[10] HEGARTY D, 1984, ADV THEORIES COMPUTA

[1] METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS [J]. THEORETICA CHIMICA ACTA, 1974, 33 (02): : 157 - 167

[2] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) : 385 - 399

[3] AN UNCONVENTIONAL SCF METHOD FOR CALCULATIONS ON LARGE MOLECULES [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) : 274 - 282

[4] On the use of symmetry in SCF calculations [J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 47 - 48

[5] MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1. [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (04) : 613 - 625

[6] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) : 111 - 116

[7] USE OF MOLECULAR SYMMETRY IN SCF CALCULATIONS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (01) : 75 - 85

[8] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .8. A METHOD OF CALCULATING IONIZATION POTENTIALS [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 205 (1083): : 541 - 552

[9] INTEGRAL EVALUATION ALGORITHMS AND THEIR IMPLEMENTATION [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (04) : 1135 - 1153

[10] HEGARTY D, 1984, ADV THEORIES COMPUTA