Density functional theory (B3LYP/6-31G*) study of oligothiophenes in their aromatic and polaronic states

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

Engineering, Physics, Natural Sciences +7

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

Engineering, Databases, Altmetric Attention Score +16

Ab initio molecular orbital theory

Wong Ot · Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations

Engineering, Physics, Natural Sciences +4

Solitons in conducting polymers

Alan J. Heeger, Steven A. Kivelson, J. R. Schrieffer et al. · Reviews of Modern Physics · 1988 · 3.7K citations

Materials Science, Self-localized Nonlinear Excitations, Conducting Polymer +13