Electronic correlation - Document - PDFSEARCH.IO

First Page		Document Content
Date: 2013-05-30 17:29:43 GAMESS Fragment molecular orbital MNDO PM3 MPQC Electronic correlation Multi-configurational self-consistent field Chemistry Computational chemistry Science		Add to Reading List Source URL: www.msg.chem.iastate.edu Download Document from Source Website File Size: 155,09 KB Share Document on Facebook

	Lakshminarasimhan Seshagiri, Meng‐Shiou Wu, Masha Sosonkina  Ames Laboratory , Ames, IA 50011  Zhao Zhang  Iowa State University, Ames, IA 50011  * This work was supporte DocID: 1ppMg - View Document
	AN INTRODUCTION TO GAMESS See: www.msg.chem.iastate.edu GAMESS DocID: 1o0mQ - View Document
	Theory Papers Kitaura, K.; Sawai, T.; Asada, T.; Nakano, T.; Uebayasi, M. Chem. Phys. Lett. 1999, 312, 319. Kitaura, K.; Ikeo, E.; Asada, T.; Nakano, T.; Uebayasi, M. Chem. Phys. Lett. 1999, 313, 701. Nakano, T.; Kaminum DocID: 1nJ0m - View Document
	Topics • General overview of the Fragment Molecular Orbital (FMO) method • Examples of the types of calculations you can do with FMO • Parallelization with GDDI DocID: 1crud - View Document
	Input DescriptionDecember 2014) ********************************* * DocID: 1aOg1 - View Document