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2026 CISS and a Phase Space Theory of Electronic Structure Joseph Subotnik · APS Global Physics Summit · Scholar only 2026 Constrained CASSCF (2, 2) and Tight-binding Approach to Study Electron Transfer between a Molecule and Metal Cluster Joseph Subotnik · APS Global Physics Summit · Scholar only 2026 Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure framework Joseph Subotnik · The Journal of Chemical Physics · Scholar only 1 2026 How the twist of a molecule affects electron spin Joseph Subotnik · Scholar only 2 2026 Interference-Limited Absorption in Dense Molecular Nanolayers Near Reflecting Surfaces Joseph Subotnik · The Journal of Physical Chemistry Letters · Scholar only 2026 Jankunas Dissertation Award (Finalists): A phase-space electronic structure framework to nonadiabatic dynamics and spin chemistry Joseph Subotnik · APS Global Physics Summit · Scholar only 2026 Marcus theory and the condon approximation revisited i: E-shake and seam sampling Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 2 2026 Marcus theory and the condon approximation revisited ii: The horror of triplet energy transfer Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 2 2026 Non-resonant Raman optical activity from phase-space electronic structure theory Joseph Subotnik · APL Computational Physics · Scholar only 1 2026 Phase Space Electronic Structure Theory: Diatomic Lambda-Doubling, spin-rotation coupling, and macroscopic Einstein-de Haas Joseph Subotnik · APS Global Physics Summit · Scholar only 2026 Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein–de Haas Joseph Subotnik · The journal of physical chemistry letters · Scholar only 5 2026 Phonon Angular Momentum Generation by Heat Current and Rectified Vibrational Energy Transfer in Driven Chiral Molecules. Joseph Subotnik · APS Global Physics Summit · Scholar only 2026 Protein·solvent interface controls proton-coupled reactivity in cryptochrome 4a Joseph Subotnik · Journal of the American Chemical Society · Scholar only 2026 The phase-space way to electronic structure theory and subsequently chemical dynamics Joseph Subotnik · Chemical Physics Reviews · Scholar only 17 2026 Vibrational angular momentum generation in thermally driven chiral systems Joseph Subotnik · Physical Review B · Scholar only 1 2025 A basis-free phase space electronic Hamiltonian that recovers beyond Born–Oppenheimer electronic momentum and current density Joseph Subotnik · The Journal of Chemical Physics · Scholar only 22 2025 An extremely efficient algorithm for (2, 2) dynamically weighted constrained complete active space calculations Joseph Subotnik · The Journal of chemical physics · Scholar only 3 2025 A phase-space electronic Hamiltonian for molecules in a static magnetic field. I: Conservation of total pseudomomentum and angular momentum Joseph Subotnik · The Journal of Physical Chemistry A · Scholar only 10 2025 A phase-space electronic Hamiltonian for molecules in a static magnetic field II: Quantum chemistry calculations with gauge invariant atomic orbitals Joseph Subotnik · The Journal of Physical Chemistry A · Scholar only 9 2025 A phase-space view of vibrational energies without the Born–Oppenheimer framework Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 15 2025 A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 2025 Chiral vibrational modes in small molecules Joseph Subotnik · The Journal of Chemical Physics · Scholar only 7 2025 Conical intersections and electronic momentum as viewed from phase space electronic structure theory Joseph Subotnik · The journal of physical chemistry letters · Scholar only 12 2025 Constrained CASSCF: Probing Charge-Transfer and Non-Adiabatic Dynamics at Ground State Cost Joseph Subotnik · APS Global Physics Summit · Scholar only 2025 Evaluating the gradients of localized diabatic state energies and couplings at minimum cost Joseph Subotnik · The Journal of Chemical Physics · Scholar only 3 2025 Fast methods for multisite charge transfer processes. I. Constrained, state averaged CASSCF (1, n) and CASSCF (2n− 1, n) simulations Joseph Subotnik · The Journal of Chemical Physics · Scholar only 2 2025 Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF (1, n) and cCASSCF (2n-1, n) wavefunctions Joseph Subotnik · The Journal of Chemical Physics · Scholar only 1 2025 Multilinear Spectroscopy, Semiclassical Electrodynamics, and Energy Transfer Under Strong Illumination (Final Technical Report) Joseph Subotnik · Univ. of Pennsylvania, Philadelphia, PA (United States) · Scholar only 2025 Protein and solvent reorganization drives radical pair stability in avian cryptochrome 4a Joseph Subotnik · Journal of the American Chemical Society · Scholar only 15 2025 Recovering exact vibrational energies within a phase space electronic structure framework Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 8 2025 Rectification of vibrational energy transfer in driven chiral molecules Joseph Subotnik · The Journal of Chemical Physics · Scholar only 3 2025 Revisiting the Discrepancy between Experimental and Theoretical Predictions of the Adiabaticity of Ti+ + CH3OH Joseph Subotnik · The Journal of Physical Chemistry A · Scholar only 3 2025 Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential Joseph Subotnik · The Journal of Chemical Physics · Scholar only 14 2025 The role of quantum vibronic effects in the spin polarization of charge transport through molecular junctions Joseph Subotnik · The Journal of Chemical Physics · Scholar only 10 2025 Unveiling the Dance of Molecules: Rovibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 10 2024 A Constrained CASSCF (2, 2) Approach to Study Electron Transfer between a Molecule and Metal Cluster Joseph Subotnik · The Journal of Physical Chemistry A 5 2024 A fast and smooth one-electron approach for investigating charge transfer states and D1–D0 crossings for systems with odd numbers of electrons Joseph Subotnik · The Journal of Chemical Physics 9 2024 An Efficient Algorithm for Constrained CASSCF (1, 2) and CASSCF (3, 2) Simulations as Relevant to Electron and Hole Transfer Problems Joseph Subotnik · Journal of Chemical Theory and Computation 5 2024 An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism Joseph Subotnik · The Journal of Chemical Physics · needs review 13 2024 Angular momentum transfer between a molecular system and a continuous circularly polarized light field within a semiclassical Born–Oppenheimer surface hopping framework Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 4 2024 A Phase Space Approach to Vibrational Circular Dichroism Joseph Subotnik · Journal of Chemical Theory and Computation · needs review 4 2024 A phase-space electronic Hamiltonian for vibrational circular dichroism Joseph Subotnik · Journal of Chemical Theory and Computation · Scholar only 17 2024 A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: Surface hopping with electronic inertial effects Joseph Subotnik · The Journal of Chemical Physics · Scholar only 15 2024 A Simple One-Electron Expression for Electron Rotational Factors Joseph Subotnik · The Journal of Chemical Physics 19 2024 Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal Perturbation Theory, Nonadiabatic Corrections and Translational Degrees of Freedom Joseph Subotnik · The Journal of Chemical Physics 18 2024 Foreword to the special issue chiral induced spin selectivity Joseph Subotnik · The Journal of Chemical Physics · Scholar only 6 2024 Linear and angular momentum conservation in surface hopping methods Joseph Subotnik · The Journal of Chemical Physics 19 2024 Nature of Polariton Transport in a Fabry-Perot Cavity Joseph Subotnik · Physical Review A 32 2024 On the nature of two-photon transitions for a Collection of Molecules in a Fabry-Perot Cavity Joseph Subotnik · The Journal of Chemical Physics 5 2024 Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics Joseph Subotnik · The Journal of Chemical Physics 24
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2026 · article

CISS and a Phase Space Theory of Electronic Structure

APS Global Physics Summit · Joseph Subotnik

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title CISS and a Phase Space Theory of Electronic Structure (used)
year 2026 (used)
venue APS Global Physics Summit (used)
kind other (used)
first author Subotnik (used)

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