Efficient two-component self-consistent field procedures and gradients: implementation in TURBOMOLE and application to Au20-

Author: Baldes Alexander   Weigend Florian  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.111, Iss.16-17, 2013-09, pp. : 2617-2624

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract