Journal article
Density bifunctional theory using the mass density and the charge density
Abstract
Can all the properties of a system composed of particles with masses, mi, and charges, qi, be determined from the charge density and the mass density? Subject to a small statistical caveat, this is true, and offers the prospect of an elegant extension of density-functional theory beyond the Born-Oppenheimer approximation.
Authors
Ayers PW
Journal
Theoretical Chemistry Accounts, Vol. 115, No. 4, pp. 253–256
Publisher
Springer Nature
Publication Date
4 2006
DOI
10.1007/s00214-005-0019-7
ISSN
1432-881X