A new version of a general program to calculate angular momentum integrals in atomic structure
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资源简介:
Title of program: WEIGHTS NEW VERSION
Catalogue Id: ACQL_v2_0 [ACQV]
Nature of problem
The purpose of the program is to express the matrix elements of the two-electron interaction of the Hamiltonian as a weighted sum of radial Slater integrals.
CORRECTION SUMMARY:
Vol:Year:Page 6:1973:59
"000A CORRECTION 22/05/73"
"A new version of a general program to calculate angular momentum
integrals in atomic structure. (C.P.C. 2(1971)180)."
A. Hibbert
ADAPTATION SUMMARY:
Vol:Year:Page 7:1974:318
"0001ADAPT WEIGHTS FOR ONE PART"
"Adaptation of a general program to calculate angular momentum
integrals in atomic structure: inclusion of the one-electron part of
the hamiltonian."
A. Hibbert
ADAPTATION SUMMARY:
Vol:Year:Page 8:1974:329
"0002ADAPT TO TEST CONFIG DATA"
"Adaptation of a general program to calculate angular momentum
integrals in atomic structure: inclusion of the checking of the
configuration data."
A. Hibbert
CORRECTION SUMMARY:
Vol:Year:Page 0:unpublished:unpublished
"A00ACORRECTION TO 0001 15/06/77"
"Unpublished correction to the adaptation of a general program to
calculate angular momentum integrals in atomic structure: inclusion
of the one-electon part of the hamiltonian."
A. Hibbert
Note: adaptation instructions are contained in source code
Note: correction instructions are contained in source code
Versions of this program held in the CPC repository in Mendeley Data
ACQL_v1_0; WEIGHTS; 10.1016/0010-4655(70)90037-8
ACQL_v2_0; WEIGHTS NEW VERSION; 10.1016/0010-4655(71)90051-8
ACQL_v3_0; WEIGHTS A MORE EFFICIENT VERSION; 10.1016/0010-4655(82)90054-6
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间:
2019-12-18



