Wen‐Cai Lu

Molecule intrinsic minimal basis sets. I. Exact resolution of <i>ab initio</i> optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals

Wen‐Cai Lu, Cai‐Zhuang Wang, M. W. Schmidt et al. · The Journal of Chemical Physics · 2004 · 170 citations

Engineering, Computational Chemistry, Chemistry +16

Representation of electronic structures in crystals in terms of highly localized quasiatomic minimal basis orbitals

Wen‐Cai Lu, Cai‐Zhuang Wang, Tzu-Liang Chan et al. · Physical Review B · 2004 · 80 citations

Engineering, Minimal Basis Set, Solid-state Chemistry +19

Magnetic and electronic properties of the nickel clusters Nin (n⩽30)

Wei Song, Wen‐Cai Lu, C.Z. Wang et al. · Computational and Theoretical Chemistry · 2011 · 58 citations

Materials Science, Magnetism, Magnetic Properties +13

Energetic and fragmentation stability of water clusters (H2O) , n= 2–30

Xiaojie Liu, Wen‐Cai Lu, C.Z. Wang et al. · Chemical Physics Letters · 2011 · 55 citations

Highly localized quasiatomic minimal basis orbitals for Mo from<i>ab initio</i>calculations

Tzu-Liang Chan, Yongxin Yao, Cai‐Zhuang Wang et al. · Physical Review B · 2007 · 42 citations

Transition Metal Chalcogenides, Engineering, Minimal Basis Set +15