GPView: A program for wave function analysis and visualization.

Abstract

In this manuscript, we will introduce a recently developed program GPView, which can be used for wave function analysis and visualization. The wave function analysis module can calculate and generate 3D cubes for various types of molecular orbitals and electron density of electronic excited states, such as natural orbitals, natural transition orbitals… (More)
DOI: 10.1016/j.jmgm.2016.10.015

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Cite this paper

@article{Shi2016GPViewAP, title={GPView: A program for wave function analysis and visualization.}, author={T. Y. Shi and Ping F. Wang}, journal={Journal of molecular graphics & modelling}, year={2016}, volume={70}, pages={305-314} }