Related references
Note: Only part of the references are listed.A first-principles divide-and-conquer approach for electronic structure of large systems and its application to graphene nanoribbons
Y. X. Yao et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Quasiatomic orbitals for ab initio tight-binding analysis
Xiaofeng Qian et al.
PHYSICAL REVIEW B (2008)
Intrinsic local constituents of molecular electronic wave functions. I. Exact representation of the density matrix in terms of chemically deformed and oriented atomic minimal basis set orbitals
Joseph Ivanic et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Intrinsic local constituents of molecular electronic wave functions.: II.: Electronic structure analyses in terms of intrinsic oriented quasi-atomic molecular orbitals for the molecules FOOH, H2BH2BH2, H2CO and the isomerization HNO → NOH
Joseph Ivanic et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations
T. -L. Chan et al.
PHYSICAL REVIEW B (2007)
Representation of electronic structures in crystals in terms of highly localized quasiatomic minimal basis orbitals
WC Lu et al.
PHYSICAL REVIEW B (2004)
Covalent bonding and bandgap formation in transition-metal aluminides:: di-aluminides of group VIII transition metals
M Krajcí et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Covalent bonding and bandgap formation in intermetallic compounds:: a case study for Al3V
M Krajcí et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Maximally localized Wannier functions for entangled energy bands
I Souza et al.
PHYSICAL REVIEW B (2002)