Literature DB >> 30112625

Time-dependent pair density from the principle of minimum Fisher information.

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


  7 in total

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Journal:  J Chem Phys       Date:  2007-05-21       Impact factor: 3.488

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Authors:  Neepa T Maitra
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  7 in total

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