A new version of a general program to calculate angular momentum integrals in atomic structure

✍ Scribed by A. Hibbert

• Publisher: Elsevier Science
• Year: 1971
• Tongue: English
• Weight: 747 KB
• Volume: 2
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(71)90051-8

✦ Synopsis

Author of original program: p~G. Burke

No. of cards required to effect adaptation (including directive cards): 4

Card punching code: BCD

Nature ofphysical problem

provement in time, but typically is of the order of 30%. The purpose of the program is to express the matrix Another factor which affects the comparison between elements of the two-electron interaction of the hamil-these two times is a new compiler on our ICL 1907. Lonian as a weighted sum of radial Slater integrals. This too reduces the execution time. The new compiler also appears to reduce the store required for programs Method of solution of this sort of size by approximately 10%. Thus, the The main difference between this code and the reduction in core storage from 30 K to 28 K is a result earlier version [11 is that the present code makes use of the introduction of the new compiler, and the reof average energy expressions where possible.

moval of four COMMON blocks (about 2 K words), balanced by 500 extra cards.

Typical running time

The six sets of configurations in the test data took References 111 seconds on an ICL 1907. This should be compared

[1] A. Hibbert, Computer Phys. Commun. 1 (1970) 359. with the time of 75 seconds for the first two sets of con-

[2] J. C. Slater, Quantum theory of atomic structure, figurations, using the earlier version. The use of Vol. 1 (McGraw-Hill, New York, 1960). average energy contributions provides a varied im-