Almlof 9404902 The self-consistent-field (SCF) method is severely limited by the computational cost of assembling the Fock matrix. This research will address this problem by separating the long-range, classical electrostatic contributions to the Fock matrix from those involving local, quantum interactions. A portable, scable SCF code will be developed which will, for the first time, systematize the most demanding part of an SCF calculation.

Agency
National Science Foundation (NSF)
Institute
Division of Advanced CyberInfrastructure (ACI)
Type
Standard Grant (Standard)
Application #
9404902
Program Officer
Richard Hirsh
Project Start
Project End
Budget Start
1994-07-15
Budget End
1996-06-30
Support Year
Fiscal Year
1994
Total Cost
$41,200
Indirect Cost
Name
University of Minnesota Twin Cities
Department
Type
DUNS #
City
Minneapolis
State
MN
Country
United States
Zip Code
55455