Minimal parameter implicit solvent model for ab initio electronic-structure calculations

Author： Dziedzic J.   Helal H. H.   Skylaris C.-K.   Mostofi A. A.   Payne M. C.  

Publisher： Edp Sciences

E-ISSN： 1286-4854|95|4|43001-43001

ISSN： 0295-5075

Source： EPL (EUROPHYSICS LETTERS), Vol.95, Iss.4, 2011-07, pp. : 43001-43001

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

Related content

Simple ab initio calculations on electronic structure and magnetism for benzene and borazine

By Blustin Peter  

Molecular Physics, Vol. 36, Iss. 1, 1978-07 ,pp. : 279-285

Taylor & Francis Ltd

Access to resources Recommend Favorite

Large-scale ab initio nanostructure electronic structure calculations for energy applications

By  

Journal of Physics: Conference Series , Vol. 125, Iss. 1, 2008-07 ,pp. : 512-518

IOP Publishing

Access to resources Recommend Favorite

Symmetry-Adapted Ab Initio Shell Model for Nuclear Structure Calculations

By  

Journal of Physics: Conference Series , Vol. 366, Iss. 1, 2012-05 ,pp. : 78-82

IOP Publishing

Access to resources Recommend Favorite

Electronic structure of the SiP + radical on the basis of ab initio MRD-CI calculations

By Dohmann Helmut   Bruna Pablo   Peyerimhoff Sigrid   Buenker Robert  

Molecular Physics, Vol. 51, Iss. 5, 1984-04 ,pp. : 1109-1134

Taylor & Francis Ltd

Access to resources Recommend Favorite

The Effect of Oxygen Vacancies on the Atomic and Electronic Structure of Cubic ABO3 Perovskite Bulk and the (001) Surface: Ab initio Calculations

By Zhukovskii Y. F.  

Ferroelectrics, Vol. 379, Iss. 1, 2009-01 ,pp. : 191-198

Taylor & Francis Ltd

Access to resources Recommend Favorite