Joseph E. Subotnik

United States

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Articles (30)

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Collaborators (6)

Yanze Wu

Northwestern University

UNITED STATES

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Hsing-Ta Chen

Assistant Professor

University of Notre Dame

UNITED STATES

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David Waldeck

University of Pittsburgh

UNITED STATES

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Jonathan Rawlinson

University of Nottingham

UNITED KINGDOM

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Xinchun Wu

University of Pennsylvania

UNITED STATES

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Abraham Nitzan

Professor

University of Pennsylvania

UNITED STATES

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Joseph E. Subotnik

Research Interests

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Articles (30)

Recovering Exact Vibrational Energies within a Phase Space Electronic Structure Framework

Erratum: “A basis-free phase space electronic Hamiltonian that recovers beyond Born–Oppenheimer electronic momentum and current density” [J. Chem. Phys. 162, 144111 (2025)]

A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules

Conical Intersections and Electronic Momentum as Viewed from Phase Space Electronic Structure Theory

Correction to “A Phase-Space View of Vibrational Energies without the Born–Oppenheimer Framework”

Evaluating the gradients of localized diabatic state energies and couplings at minimum cost

Chiral vibrational modes in small molecules

Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential

The role of quantum vibronic effects in the spin polarization of charge transport through molecular junctions

A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals

Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states

A fast and smooth one-electron approach for investigating charge transfer states and D1–D0 crossings for systems with odd numbers of electrons

A simple one-electron expression for electron rotational factors

Practical phase-space electronic Hamiltonians for ab initio dynamics

Diagonalizing the Born–Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom

Foreword to the Special Issue Chiral Induced Spin Selectivity

On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity

Linear and angular momentum conservation in surface hopping methods

Dissociation slowdown by collective optical response under strong coupling conditions

Representation and conservation of angular momentum in the Born–Oppenheimer theory of polyatomic molecules

A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping

Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics

Erratum: “On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure” [J. Chem. Phys. 156, 234107 (2022)]

Analytical gradients and derivative couplings for the TDDFT-1D method

The parallel-transported (quasi)-diabatic basis

Interplay between disorder and collective coherent response: Superradiance and spectral motional narrowing in the time domain

Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping

A phase-space semiclassical approach for modeling nonadiabatic nuclear dynamics with electronic spin

On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure

Electron transfer and spin–orbit coupling: Can nuclear motion lead to spin selective rates?

Collaborators (6)

Yanze Wu

Hsing-Ta Chen

David Waldeck

Jonathan Rawlinson

Xinchun Wu

Abraham Nitzan

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