Xiaoli Wang

Papers on Lattice

Total citations

Topics

h-index

Research focus

Scientific Discovery & Drug Design (1)

Frequent co-authors

Xingwen Wang (1)Zi-Kuan Wang (1)Wenjian Liu (1)

Papers (1)

May 26, 2026

Xiaoli Wang +3May 26, 2026

Analytic first order nonadiabatic coupling matrix elements of spin-adapted open-shell time-dependent density functional theory

Unrestricted TDDFT's errors in nonadiabatic coupling matrix elements are so large and unsystematic that spin-adaptation (X-TDDFT) can completely revise predicted excited state relaxation pathways.

Xiaoli Wang, Xingwen Wang, Zi-Kuan Wang +1

Scientific Discovery & Drug Design

Xiaoli Wang

Research focus

Frequent co-authors

Papers (1)

Search

Xiaoli Wang

Research focus

Frequent co-authors

Papers (1)