COMPARISON OF LOBE AND CARTESIAN GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS

[1] APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2071 - +

[2] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063): : 542 - 554

[3] BROWN RL, TO BE PUBLISHED

[4] AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2261 - &

[5] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &

[6] Demuynck J, 1970, CHEM PHYS LETT, V6, P204, DOI 10.1016/0009-2614(70)80219-6

[7] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5001 - +

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[9] GAUSSIAN EXPANSIONS OF MINIMAL STO BASIS FOR CALCULATIONS IN MOLECULAR QUANTUM MECHANICS [J]. THEORETICA CHIMICA ACTA, 1969, 15 (04): : 353 - +

[10] ONE-ELECTRON PROPERTIES OF NEAR-HARTREE-FOCK WAVEFUNCTIONS .I. WATER [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2056 - +

[1] APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2071 - +

[2] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063): : 542 - 554

[3] BROWN RL, TO BE PUBLISHED

[4] AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2261 - &

[5] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &

[6] Demuynck J, 1970, CHEM PHYS LETT, V6, P204, DOI 10.1016/0009-2614(70)80219-6

[7] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5001 - +

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[9] GAUSSIAN EXPANSIONS OF MINIMAL STO BASIS FOR CALCULATIONS IN MOLECULAR QUANTUM MECHANICS [J]. THEORETICA CHIMICA ACTA, 1969, 15 (04): : 353 - +

[10] ONE-ELECTRON PROPERTIES OF NEAR-HARTREE-FOCK WAVEFUNCTIONS .I. WATER [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2056 - +