| Literature DB >> 30112625 |
Á Nagy1.
Abstract
The Euler equation for the time-dependent pair density is derived from the principle of minimum Fisher information. The same Euler equation is also derived from the recently introduced time-dependent pair density functional theory. The concept of steric effect to electron pairs is proposed and the steric pair energy is defined as the Weizsäcker kinetic energy of electron pairs.Keywords: Fisher information; Minimum principle of Fisher information; Pair density; Time-dependent pair density functional theory
Year: 2018 PMID: 30112625 DOI: 10.1007/s00894-018-3775-8
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810