Yingkai Zhang

Comment on “Generalized Gradient Approximation Made Simple”

Yingkai Zhang, Weitao Yang · Physical Review Letters · 1998 · 2.8K citations

Numerical Analysis, Matthias Ernzerhof, Engineering +10

A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons

Yingkai Zhang, Weitao Yang · The Journal of Chemical Physics · 1998 · 607 citations

Engineering, Density Functionals, Computational Chemistry +23

A pseudobond approach to combining quantum mechanical and molecular mechanical methods

Yingkai Zhang, Tai‐Sung Lee, Weitao Yang · The Journal of Chemical Physics · 1999 · 489 citations

Quantum Dynamic, Qm/mm Boundary, Engineering +23

Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined <i>ab initio</i> QM/MM potential energy surface

Yingkai Zhang, Haiyan Liu, Weitao Yang · The Journal of Chemical Physics · 2000 · 447 citations

Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory

Weitao Yang, Yingkai Zhang, Paul W. Ayers · Physical Review Letters · 2000 · 446 citations

Quantum Dynamic, Engineering, Many-body Quantum Physic +20