Optimum atomic orbitals for molecular calculations A review

By Burden F.R.   Wilson R.M.  

Advances In Physics, Vol. 21, Iss. 94, 1972-11 ,pp. : 825-915

Taylor & Francis Ltd

Access to resources Recommend Favorite

A simple model of atomic interactions in noble metals based explicitly on electronic structure

By Sutton A. P.M   Todorov T. N.   Cawkwell M. J.   Hoekstra J.  

Philosophical Magazine. A. Physics of Condensed Matter. Defects and Mechanical Properties, Vol. 81, Iss. 7, 2001-07 ,pp. : 1833-1848

Taylor & Francis Ltd

Access to resources Recommend Favorite

Calculations of the electronic structure of diamond (001) ultrathin films

By Nishida M.  

Philosophical Magazine Letters, Vol. 87, Iss. 6, 2007-06 ,pp. : 441-449

Taylor & Francis Ltd

Access to resources Recommend Favorite

Thick-Restart Lanczos Method for Electronic Structure Calculations

By Wu K.   Canning A.   Simon H.D.    

Journal of Computational Physics, Vol. 154, Iss. 1, 1999-09 ,pp. : 156-173

Academic Press

Access to resources Recommend Favorite

Unconstrained Energy Functionals for Electronic Structure Calculations

By Pfrommer B.G.   demmel J.   Simon H.  

Journal of Computational Physics, Vol. 150, Iss. 1, 1999-03 ,pp. : 287-298

Academic Press

Access to resources Recommend Favorite