1956
DOI: 10.1016/s0371-1951(56)80077-5
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Ein neuer Doppelprojektor

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Cited by 5 publications
(5 citation statements)
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“…(15s7p)/[4s3p] for Na and (19s11p)/[5s4p] for Cl. The p functions were constructed from Gaussian lobes [16] which yield an approximate form of Cartesian-type basis functions. The number of basis functions per unit cell was 30.…”
Section: Calculations and Resultsmentioning
confidence: 99%
“…(15s7p)/[4s3p] for Na and (19s11p)/[5s4p] for Cl. The p functions were constructed from Gaussian lobes [16] which yield an approximate form of Cartesian-type basis functions. The number of basis functions per unit cell was 30.…”
Section: Calculations and Resultsmentioning
confidence: 99%
“…Moreover, it is interesting to note that the standard GLOS [28] provide the best results for such cases: for the CO (CdU) and M,04 (Td) species, there are 21,494 and 14,306 integrals to be computed over GLOS, against 23,678 and 15,132 for the AGLOS or CGTOS basis sets, respectively.…”
Section: Sample Calculations and Discussionmentioning
confidence: 99%
“…For a charge distribution of the type lP a {l){a/ax)lPb{l), it is convenient to define a new function, (10) where 110 ml, nt, 1 2 , m2, n2 are even positive integers or zero and the x component of Gab is denoted as…”
Section: A Operator P2qmentioning
confidence: 99%