A COMPARATIVE-STUDY OF VARIATIONAL TECHNIQUES FOR SCHRODINGER-EQUATIONS - POINTWISE QUALITY CRITERIA

Date

1988-08-01

Author

YURTSEVER, E

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Different variational schemes for solving the Schrodinger equation are tested for the model potential of Kratzer-Fues. Wavefunctions are analyzed in terms of their global (expectation values) and local properties which are expressed as functions of coordinates. The Rayleigh-Ritz variation almost uniformly produces the most accurate expectation values. However the point properties show qualitatively different behaviour for different regions of the coordinate space. To define the local quality, a set of criteria is proposed.

Subject Keywords

Physical and Theoretical Chemistry, Mathematical Physics, General Physics and Astronomy

URI

https://hdl.handle.net/11511/64357

Journal

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

DOI

https://doi.org/10.1515/zna-1988-8-905

Collections

Department of Chemistry, Article

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Citation Formats

E. YURTSEVER, “A COMPARATIVE-STUDY OF VARIATIONAL TECHNIQUES FOR SCHRODINGER-EQUATIONS - POINTWISE QUALITY CRITERIA,” ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, pp. 745–750, 1988, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/64357.