3-DIMENSIONAL NUMERICAL-INTEGRATION FOR ELECTRONIC-STRUCTURE CALCULATIONS

[1] SIMPLE MOLECULAR WAVEFUNCTIONS WITH CORRELATION CORRECTIONS [J]. THEORETICA CHIMICA ACTA, 1983, 64 (03): : 171 - 180

[2] ELECTRONIC-STRUCTURE OF CU(111) SURFACE [J]. SOLID STATE COMMUNICATIONS, 1978, 27 (09) : 881 - 883

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

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

[5] CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS EMPLOYING SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) : 4504 - 4515

[6] BARNETT MP, 1951, PHILOS T R SOC LON A, V234, P221

[7] BOETTGER JC, 1983, PHYS REV B, V29, P6425

[8] WATER WATER INTERACTION POTENTIAL - AN APPROXIMATION OF THE ELECTRON CORRELATION CONTRIBUTION BY A FUNCTIONAL OF THE SCF DENSITY-MATRIX [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (06) : 2646 - 2651

[9] CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS [J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (01) : 33 - 38

[10] MOLECULAR SCHRODINGER EQUATION .8. A NEW METHOD FOR EVALUATION OF MULTIDIMENSIONAL INTEGRALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) : 5307 - &

[1] SIMPLE MOLECULAR WAVEFUNCTIONS WITH CORRELATION CORRECTIONS [J]. THEORETICA CHIMICA ACTA, 1983, 64 (03): : 171 - 180

[2] ELECTRONIC-STRUCTURE OF CU(111) SURFACE [J]. SOLID STATE COMMUNICATIONS, 1978, 27 (09) : 881 - 883

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

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

[5] CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS EMPLOYING SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) : 4504 - 4515

[6] BARNETT MP, 1951, PHILOS T R SOC LON A, V234, P221

[7] BOETTGER JC, 1983, PHYS REV B, V29, P6425

[8] WATER WATER INTERACTION POTENTIAL - AN APPROXIMATION OF THE ELECTRON CORRELATION CONTRIBUTION BY A FUNCTIONAL OF THE SCF DENSITY-MATRIX [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (06) : 2646 - 2651

[9] CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS [J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (01) : 33 - 38

[10] MOLECULAR SCHRODINGER EQUATION .8. A NEW METHOD FOR EVALUATION OF MULTIDIMENSIONAL INTEGRALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) : 5307 - &