Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four- Component Relativistic Spinors

Author： Chaudhuri Rajat K.  

Publisher： MDPI

E-ISSN： 1422-0067|4|12|586-594

ISSN： 1422-0067

Source： International Journal of Molecular Sciences, Vol.4, Iss.12, 2003-12, pp. : 586-594

Access to resources Favorite

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

Potential Functions of Al2 by the Relativistic Fock-Space Coupled Cluster Method

By Landau Arie   Eliav Ephraim   Visscher Lucas   Kaldor Uzi  

International Journal of Molecular Sciences, Vol. 3, Iss. 5, 2002-05 ,pp. : 498-507

MDPI

Access to resources Recommend Favorite

Modelling Catalyst Surfaces Using DFT Cluster Calculations

By Czekaj Izabela   Wambach Jörg   Kröcher Oliver  

International Journal of Molecular Sciences, Vol. 10, Iss. 10, 2009-11 ,pp. : 4310-4329

MDPI

Access to resources Recommend Favorite

Rotational Spectra of Symmetric Top Molecules in Ground and Different Vibrational Excited States, and Phenomenon of Resonance – Applying in CF3CCH

By Motamedi Masoud  

International Journal of Molecular Sciences, Vol. 8, Iss. 4, 2007-04 ,pp. : 316-334

MDPI

Access to resources Recommend Favorite

Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule

By Pittner Jiří   Demel Ondřej   Čársky Petr   Hubač Ivan  

International Journal of Molecular Sciences, Vol. 2, Iss. 6, 2001-11 ,pp. : 281-290

MDPI

Access to resources Recommend Favorite

Principal Component Analysis Coupled with Artificial Neural Networks—A Combined Technique Classifying Small Molecular Structures Using a Concatenated Spectral Database

By Gosav Steluţa   Praisler Mirela   Birsa Mihail Lucian  

International Journal of Molecular Sciences, Vol. 12, Iss. 10, 2011-10 ,pp. : 6668-6684

MDPI

Access to resources Recommend Favorite