<i>WinXPRO</i>: a program for calculating crystal and molecular properties using multipole parameters of the electron density

Stash, A.I.; G. Tsirelson, Vladimir

doi:10.1107/s0021889802003230

Public

WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density

Published in Journal of Applied Crystallography • May 16, 2002

Authors:

A.I. Stash

Vladimir G. Tsirelson

Abstract

The computer program WinXPRO enables the calculation of crystal and molecular properties using the multipole parameters of the electron density. The list of properties includes the electron density and its topological and electric field characteristics, the local kinetic and potential energies, the ...

Subject

Multipole expansion

Electron density

Crystal (programming language)

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