Robert J. Cave

Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements

Robert J. Cave, Marshall D. Newton · Chemical Physics Letters · 1996 · 733 citations

Physics, Electron Spectroscopy, Natural Sciences +6

Double excitations within time-dependent density functional theory linear response

Neepa T. Maitra, Fan Zhang, Robert J. Cave et al. · The Journal of Chemical Physics · 2004 · 507 citations

Spectral Theory, Quantum Dynamic, Localized Excited State +16

Calculation of electronic coupling matrix elements for ground and excited state electron transfer reactions: Comparison of the generalized Mulliken–Hush and block diagonalization methods

Robert J. Cave, Marshall D. Newton · The Journal of Chemical Physics · 1997 · 464 citations

Localized Excited State, Engineering, Proton-coupled Electron Transfer +18

A survey of ligand effects upon the reaction entropies of some transition metal redox couples

Edmund L. Yee, Robert J. Cave, Kendall L. Guyer et al. · Journal of the American Chemical Society · 1979 · 285 citations

Engineering, Chemical Analysis, Altmetric Attention Score +20

Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization

Joseph E. Subotnik, Sina Yeganeh, Robert J. Cave et al. · The Journal of Chemical Physics · 2008 · 261 citations

Charge Excitations, Engineering, Boys Localization +19