A FULL CI TREATMENT OF NE ATOM - A BENCHMARK CALCULATION PERFORMED ON THE NAS CRAY 2

[1] AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638

[2] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) : 890 - 898

[3] 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

[4] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58

[5] CALAHAN D, COMMUNICATION

[6] 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 - +

[7] HARRISON RJ, 1983, CHEM PHYS LETT, V96, P386

[8] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &

[9] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR ABINITIO RESULTS .1. THE GROUND-STATE OF F2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (03) : 1413 - 1419

[10] A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD [J]. CHEMICAL PHYSICS LETTERS, 1984, 111 (4-5) : 315 - 321

[1] AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638

[2] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) : 890 - 898

[3] 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

[4] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58

[5] CALAHAN D, COMMUNICATION

[6] 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 - +

[7] HARRISON RJ, 1983, CHEM PHYS LETT, V96, P386

[8] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &

[9] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR ABINITIO RESULTS .1. THE GROUND-STATE OF F2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (03) : 1413 - 1419

[10] A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD [J]. CHEMICAL PHYSICS LETTERS, 1984, 111 (4-5) : 315 - 321