ZIB

Hits per page

hit 1 - 1 | 1 hit

Sorting

Electronic Resource

Use of the chemical potential to improve energies from approximate wave functions (1991)

Pearson, Ralph G.

Springer

Theoretical chemistry accounts 78 (1991), S. 281-285

add to mindlist on the mindlist

Details

ISSN: 1432-2234

Keywords: Chemical potential ; Density functional theory ; Hardness ; Local energy ; Variance

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Summary An equation derived from density functional theory is used to improve energies calculated from approximate wave functions. The examples used are perturbed particle in a box and harmonic oscillators. The equation depends on the constancy of the chemical potential in these systems. The results are quite promising.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01112851

Permalink

Library	Location	Call Number	Volume/Issue/Year	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit