Home
Scholarly Works
Density bifunctional theory using the mass density...
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

April 1, 2006

DOI

10.1007/s00214-005-0019-7

ISSN

1432-881X

Contact the Experts team