Title
Recent advances in QM and QM/MM methods
Abstract
Recent advances in advanced quantum chemistry and quantum chemistry interfaced with model potentials are discussed, with the primary focus on new scalable implementations in the GAMESS electronic structure suite of programs. Applications to solvent effects and surface science are discussed.
Year
DOI
Venue
2003
10.1007/3-540-44864-0_8
International Conference on Computational Science
Keywords
Field
DocType
surface science,recent advance,gamess electronic structure suite,solvent effect,quantum chemistry,new scalable implementation,advanced quantum chemistry,model potential,mm method,primary focus,electronic structure
Electronic structure,Suite,Complete active space,Computer science,QM/MM,Computational science,GAMESS,Solvent effects,Scalability,Distributed computing,Quantum chemistry
Conference
Volume
ISSN
ISBN
2660
0302-9743
3-540-40197-0
Citations 
PageRank 
References 
2
0.38
1
Authors
2
Name
Order
Citations
PageRank
Mark S. Gordon128325.73
Michael W. Schmidt28111.56