ABINITIO CALCULATIONS ON C2, SI2, AND SIC

[1] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2 [J]. CHEMICAL PHYSICS, 1985, 98 (03) : 381 - 386

[2] THE CHOICE OF GAUSSIAN-BASIS SETS FOR MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS [J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1981, 78 (04) : 315 - 324

[3] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077

[4] FULL CL BENCHMARK CALCULATIONS ON N-2, NO, AND O-2 - A COMPARISON OF METHODS FOR DESCRIBING MULTIPLE BONDS [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (10) : 5595 - 5599

[5] THEORETICAL D0 FOR NH (X3-SIGMA-) [J]. CHEMICAL PHYSICS LETTERS, 1987, 135 (1-2) : 67 - 72

[6] ACCURATE ABINITIO CALCULATIONS WHICH DEMONSTRATE A 3IIU GROUND-STATE FOR AL2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) : 7007 - 7012

[7] THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE ISOVALENT DIATOMICS CN+, SI-2, SIC, CP+, AND SIN+ USING THE ABINITIO MRD-CL METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) : 5437 - 5445

[8] A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) : 5606 - 5610

[9] Dunning T., 1977, METHODS ELECT STRUCT, P1

[10] Huber K P., 1979, MOL SPECTRA MOL STRU

[1] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2 [J]. CHEMICAL PHYSICS, 1985, 98 (03) : 381 - 386

[2] THE CHOICE OF GAUSSIAN-BASIS SETS FOR MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS [J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1981, 78 (04) : 315 - 324

[3] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077

[4] FULL CL BENCHMARK CALCULATIONS ON N-2, NO, AND O-2 - A COMPARISON OF METHODS FOR DESCRIBING MULTIPLE BONDS [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (10) : 5595 - 5599

[5] THEORETICAL D0 FOR NH (X3-SIGMA-) [J]. CHEMICAL PHYSICS LETTERS, 1987, 135 (1-2) : 67 - 72

[6] ACCURATE ABINITIO CALCULATIONS WHICH DEMONSTRATE A 3IIU GROUND-STATE FOR AL2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) : 7007 - 7012

[7] THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE ISOVALENT DIATOMICS CN+, SI-2, SIC, CP+, AND SIN+ USING THE ABINITIO MRD-CL METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) : 5437 - 5445

[8] A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) : 5606 - 5610

[9] Dunning T., 1977, METHODS ELECT STRUCT, P1

[10] Huber K P., 1979, MOL SPECTRA MOL STRU