Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another

Artificial intelligence-enhanced quantum chemical method with broad applicability

Extended Mulliken-Hush Method with Applications to the Theoretical Study of Electron Transfer

N-Body Reduced Density Matrix-Based Valence Bond Theory and Its Applications in Diabatic Electronic-Structure Computations

lambda-DFCAS: A Hybrid Density Functional Complete Active Space Self Consistent Field Method

Understanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods

A Valence-Bond-Based Multiconfigurational Density Functional Theory: The lambda-DFVB Method Revisited

Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide

Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach

XEDA, a fast and multipurpose energy decomposition analysis program