NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES

[1] Ahlberg J. H., 1967, THEORY SPLINES THEIR

[2] MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM [J]. MOLECULAR PHYSICS, 1973, 26 (04) : 905 - 927

[3] Arfken G., 1970, MATH METHODS PHYS

[4] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 41 - 51

[5] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 52 - 59

[6] BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169

[7] SELF-CONSISTENT MOLECULAR HARTREE-FOCK-SLATER CALCULATIONS .3. INFLUENCE OF NON-SPHERICAL CONTRIBUTIONS TO ELECTRON-DENSITY AND POTENTIALS [J]. CHEMICAL PHYSICS, 1975, 8 (03) : 412 - 418

[8] BECKE AD, 1981, THESIS MCMASTER U HA

[9] BILLINGS.FP, 1974, J CHEM PHYS, V60, P4130, DOI 10.1063/1.1680880

[10] STUDY OF THE GROUND-STATES AND IONIZATION ENERGIES OF H-2, C2, N2, F2, AND CO MOLECULES BY THE VARIATIONAL CELLULAR METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4923 - 4930

[1] Ahlberg J. H., 1967, THEORY SPLINES THEIR

[2] MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM [J]. MOLECULAR PHYSICS, 1973, 26 (04) : 905 - 927

[3] Arfken G., 1970, MATH METHODS PHYS

[4] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 41 - 51

[5] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 52 - 59

[6] BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169

[7] SELF-CONSISTENT MOLECULAR HARTREE-FOCK-SLATER CALCULATIONS .3. INFLUENCE OF NON-SPHERICAL CONTRIBUTIONS TO ELECTRON-DENSITY AND POTENTIALS [J]. CHEMICAL PHYSICS, 1975, 8 (03) : 412 - 418

[8] BECKE AD, 1981, THESIS MCMASTER U HA

[9] BILLINGS.FP, 1974, J CHEM PHYS, V60, P4130, DOI 10.1063/1.1680880

[10] STUDY OF THE GROUND-STATES AND IONIZATION ENERGIES OF H-2, C2, N2, F2, AND CO MOLECULES BY THE VARIATIONAL CELLULAR METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4923 - 4930