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Neat, Simple, and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent Interactions
American Chemical Society | 2021| -
Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equation
American Institute of Physics | 2018| -
Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory
American Institute of Physics | 2014| -
Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approach
American Institute of Physics | 2015| -
Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene
American Chemical Society | 2017| -
State-Targeted Energy Projection: A Simple and Robust Approach to Orbital Relaxation of Non-Aufbau Self-Consistent Field Solutions
American Chemical Society | 2020| -
Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry
American Chemical Society | 2020| -
Electrostatics does not dictate the slip-stacked arrangement of aromatic π–π interactions
Free accessRoyal Society of Chemistry | 2020| -
An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers
American Institute of Physics | 2015|
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