Density Functional and Ab Initio Study of Molecular Response

<p>Quantum chemistry methods nowadays reach its maturity with various robust ground state correlation methods. However, many problems related to response do not have satisfactory solutions. Chemical reactivity indexes are some static response to external fields and number of particle change. T...

Full description

Bibliographic Details
Main Author: Peng, Degao
Other Authors: Yang, Weitao
Published: 2014
Subjects:
Online Access:http://hdl.handle.net/10161/8681