Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions

By  

New Journal of Physics, Vol. 14, Iss. 5, 2012-05 ,pp. : 298-353

IOP Publishing

Access to resources Recommend Favorite

Alkali and alkaline earth metal compounds: core-valence basis sets and importance of subvalence correlation

By Iron Mark A.   Oren Mikhal   Martin Jan M. L.  

Molecular Physics, Vol. 101, Iss. 9, 2003-01 ,pp. : 1345-1361

Taylor & Francis Ltd

Access to resources Recommend Favorite

Calculation of fundamental frequencies for small polyatomic molecules: a comparison between correlation consistent and atomic natural orbital basis sets

By McCaslin Laura   Stanton John  

Molecular Physics, Vol. 111, Iss. 9-11, 2013-07 ,pp. : 1492-1496

Taylor & Francis Ltd

Access to resources Recommend Favorite

Valence and correlating basis sets for the second transition-metal atoms from Y to Cd

By Osanai You   Sekiya Masahiro   Noro Takeshi   Koga Toshikatsu  

Molecular Physics, Vol. 101, Iss. 1-2, 2003-01 ,pp. : 65-71

Taylor & Francis Ltd

Access to resources Recommend Favorite

Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

By Mourik Tanja Van   Wilson Angela K.   Dunning Thom H.  

Molecular Physics, Vol. 96, Iss. 4, 1999-02 ,pp. : 529-547

Taylor & Francis Ltd

Access to resources Recommend Favorite