about
Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials.Localization of open-shell molecular orbitals via least change from fragments to molecule.Pair 2-electron reduced density matrix theory using localized orbitals.Exploring the relationship between vibrational mode locality and coupling using constrained optimization.Orbitals with intermediate localization and low coupling: spanning the gap between canonical and localized orbitals.An efficient localization procedure for large systems using a sequential transformation strategy.
P2860
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Unitary Optimization of Localized Molecular Orbitals.
@en
type
label
Unitary Optimization of Localized Molecular Orbitals.
@en
prefLabel
Unitary Optimization of Localized Molecular Orbitals.
@en
P356
P1476
Unitary Optimization of Localized Molecular Orbitals.
@en
P2093
Susi Lehtola
P304
P356
10.1021/CT400793Q
P577
2013-11-22T00:00:00Z