Authors:
Lewis, JP
Glaesemann, KR
Voth, GA
Fritsch, J
Demkov, AA
Ortega, J
Sankey, OF
Citation: Jp. Lewis et al., Further developments in the local-orbital density-functional-theory tight-binding method - art. no. 195103, PHYS REV B, 6419(19), 2001, pp. 5103
Authors:
Lewis, JP
Glaesemann, KR
VanOpdorp, K
Voth, GA
Citation: Jp. Lewis et al., Ab initio calculations of reactive pathways for alpha-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (alpha-HMX), J PHYS CH A, 104(48), 2000, pp. 11384-11389
Authors:
Gordon, MS
Schmidt, MW
Chaban, GM
Glaesemann, KR
Stevens, WJ
Gonzalez, C
Citation: Ms. Gordon et al., A natural orbital diagnostic for multiconfigurational character in correlated wave functions, J CHEM PHYS, 110(9), 1999, pp. 4199-4207
Citation: Kr. Glaesemann et Ms. Gordon, Evaluation of gradient corrections in grid-free density functional theory, J CHEM PHYS, 110(13), 1999, pp. 6580-6582