GEOMETRY OPTIMIZATION USING LOCAL DENSITY FUNCTIONAL METHODS

[1] ORBITAL FORCES IN THE DENSITY-FUNCTIONAL FORMALISM - APPLICATION TO THE COPPER DIMER [J]. PHYSICAL REVIEW B, 1985, 32 (04): : 2141 - 2148

[2] Barlak T. M., 1983, Journal of Physical Chemistry, V87, P3441, DOI 10.1021/j100241a018

[3] LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2 [J]. MOLECULAR PHYSICS, 1984, 52 (04) : 891 - 905

[4] BAYKARA NA, UNPUB INT J QUANTUM

[5] BINKLEY JS, GAUSSIAN 82 RELEASE

[6] EFFECT OF CLUSTER SURFACE ENERGIES ON SECONDARY-ION-INTENSITY DISTRIBUTIONS FROM IONIC-CRYSTALS [J]. PHYSICAL REVIEW LETTERS, 1981, 47 (15) : 1046 - 1049

[7] SECONDARY ION MASS-SPECTROMETRY (SIMS) OF METAL-HALIDES .4. THE ENVELOPES OF SECONDARY CLUSTER ION DISTRIBUTIONS [J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1984, 57 (01): : 103 - 123

[8] ON THE THEORY OF COOPERATIVE PHENOMENA IN CRYSTALS [J]. ADVANCES IN PHYSICS, 1960, 9 (34) : 149 - 361

[9] A SEMI-EMPIRICAL X-ALPHA CALCULATION OF THE KVV AUGER LINE-SHAPE OF O2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) : 300 - 305

[10] AN EXTENDED BASIS SET LCAO CHI-ALPHA TREATMENT OF NIH AND NI2 [J]. CHEMICAL PHYSICS LETTERS, 1980, 73 (03) : 525 - 529

[1] ORBITAL FORCES IN THE DENSITY-FUNCTIONAL FORMALISM - APPLICATION TO THE COPPER DIMER [J]. PHYSICAL REVIEW B, 1985, 32 (04): : 2141 - 2148

[2] Barlak T. M., 1983, Journal of Physical Chemistry, V87, P3441, DOI 10.1021/j100241a018

[3] LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2 [J]. MOLECULAR PHYSICS, 1984, 52 (04) : 891 - 905

[4] BAYKARA NA, UNPUB INT J QUANTUM

[5] BINKLEY JS, GAUSSIAN 82 RELEASE

[6] EFFECT OF CLUSTER SURFACE ENERGIES ON SECONDARY-ION-INTENSITY DISTRIBUTIONS FROM IONIC-CRYSTALS [J]. PHYSICAL REVIEW LETTERS, 1981, 47 (15) : 1046 - 1049

[7] SECONDARY ION MASS-SPECTROMETRY (SIMS) OF METAL-HALIDES .4. THE ENVELOPES OF SECONDARY CLUSTER ION DISTRIBUTIONS [J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1984, 57 (01): : 103 - 123

[8] ON THE THEORY OF COOPERATIVE PHENOMENA IN CRYSTALS [J]. ADVANCES IN PHYSICS, 1960, 9 (34) : 149 - 361

[9] A SEMI-EMPIRICAL X-ALPHA CALCULATION OF THE KVV AUGER LINE-SHAPE OF O2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) : 300 - 305

[10] AN EXTENDED BASIS SET LCAO CHI-ALPHA TREATMENT OF NIH AND NI2 [J]. CHEMICAL PHYSICS LETTERS, 1980, 73 (03) : 525 - 529