Perturbation expansion theory corrected from basis set superposition error II. Charge transfer, pair correlationand dispersion terms

By Iwata Suehiro   Nagata Takeshi  

Theoretical Chemistry Accounts, Vol. 117, Iss. 1, 2007-01 ,pp. : 137-144

Springer Publishing Company

Access to resources Recommend Favorite

Basis set effects in simple compounds of heavy rare gases

By Klobukowski Mariusz  

Canadian Journal of Chemistry, Vol. 91, Iss. 9, 2013-01 ,pp. : 894-901

NRC Research Press

Access to resources Recommend Favorite

Computation of large systems with an economic basis set: systems in excited states

By Li Q.  

Theoretical Chemistry Accounts, Vol. 119, Iss. 5-6, 2008-04 ,pp. : 437-443

Springer Publishing Company

Access to resources Recommend Favorite

Hyperspherical harmonics for polyatomic systems: basis set for collective motions

By Aquilanti V.  

Theoretical Chemistry Accounts, Vol. 111, Iss. 2-6, 2004-03 ,pp. : 400-406

Springer Publishing Company

Access to resources Recommend Favorite

Current-voltage curves for molecular junctions: the issue of the basis set for the metal contacts

By Bauschlicher Charles  

Theoretical Chemistry Accounts, Vol. 119, Iss. 5-6, 2008-04 ,pp. : 429-435

Springer Publishing Company

Access to resources Recommend Favorite