MOLECULAR ELECTRONIC-STRUCTURE BY COMBINATION OF FRAGMENTS

[1] ANGELI RP, 1977, 3RD P INT C COMP CHE, P357

[2] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY [J]. THEORETICA CHIMICA ACTA, 1969, 13 (01): : 1 - &

[3] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .3. ENERGY UP TO THIRD-ORDER IN ZERO-DIFFERENTIAL OVERLAP APPROXIMATION . APPLICATION TO SIGMA-ELECTRON SYSTEMS [J]. THEORETICA CHIMICA ACTA, 1969, 15 (02): : 100 - &

[4] SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR COMPLEX MOLECULES - APPROXIMATION OF PARTIAL RETENTION OF DIATOMIC DIFFERENTIAL OVERLAP [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) : 1569 - 1591

[5] SPEED AND ACCURACY IN MOLECULAR-ORBITAL CALCULATIONS - COMPARISON OF CNDO-2, INDO, PRDDO, STO-3G, AND OTHER METHODS, INCLUDING AAMOM, VRDDO, AND ESE MO [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (21) : 6595 - 6608

[6] KAUFMAN JJ, 1979, ACS SYM SER, V112, P415

[7] DENSITY-MATRIX TREATMENT OF LOCALIZED ELECTRONIC INTERACTIONS IN MOLECULES AND SOLIDS [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (09) : 4592 - 4602

[8] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .2. APPLICATION TO PI-ELECTRON SYSTEMS [J]. THEORETICA CHIMICA ACTA, 1969, 13 (01): : 18 - &

[9] MALRIEU JP, 1977, MODERN THEORETICAL C, V7

[10] PERTURBATION THEORY FOR FOCK-DIRAC DENSITY MATRIX [J]. PHYSICAL REVIEW, 1962, 126 (03): : 1028 - +

[1] ANGELI RP, 1977, 3RD P INT C COMP CHE, P357

[2] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY [J]. THEORETICA CHIMICA ACTA, 1969, 13 (01): : 1 - &

[3] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .3. ENERGY UP TO THIRD-ORDER IN ZERO-DIFFERENTIAL OVERLAP APPROXIMATION . APPLICATION TO SIGMA-ELECTRON SYSTEMS [J]. THEORETICA CHIMICA ACTA, 1969, 15 (02): : 100 - &

[4] SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR COMPLEX MOLECULES - APPROXIMATION OF PARTIAL RETENTION OF DIATOMIC DIFFERENTIAL OVERLAP [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) : 1569 - 1591

[5] SPEED AND ACCURACY IN MOLECULAR-ORBITAL CALCULATIONS - COMPARISON OF CNDO-2, INDO, PRDDO, STO-3G, AND OTHER METHODS, INCLUDING AAMOM, VRDDO, AND ESE MO [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (21) : 6595 - 6608

[6] KAUFMAN JJ, 1979, ACS SYM SER, V112, P415

[7] DENSITY-MATRIX TREATMENT OF LOCALIZED ELECTRONIC INTERACTIONS IN MOLECULES AND SOLIDS [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (09) : 4592 - 4602

[8] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .2. APPLICATION TO PI-ELECTRON SYSTEMS [J]. THEORETICA CHIMICA ACTA, 1969, 13 (01): : 18 - &

[9] MALRIEU JP, 1977, MODERN THEORETICAL C, V7

[10] PERTURBATION THEORY FOR FOCK-DIRAC DENSITY MATRIX [J]. PHYSICAL REVIEW, 1962, 126 (03): : 1028 - +