Nonadiabatic Quantum ChemistryPast, Present, and Future von Yarkony, David R

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Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics von Domcke, Wolfgang, Yarkony, David R

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Nonadiabatic Tunneling in Photodissociation of Phenol von Xie, Changjian, Ma, Jianyi, Zhu, Xiaolei, Yarkony, David R, Xie, Daiqian, Guo, Hua

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Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2 von Zhao, Bin, Han, Shanyu, Malbon, Christopher L., Manthe, Uwe, Yarkony, David. R., Guo, Hua

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Encoding of vinylidene isomerization in its anion photoelectron spectrum von DeVine, Jessalyn A., Weichman, Marissa L., Laws, Benjamin, Chang, Jing, Babin, Mark C., Balerdi, Garikoitz, Xie, Changjian, Malbon, Christopher L., Lineberger, W. Carl, Yarkony, David R., Field, Robert W., Gibson, Stephen T., Ma, Jianyi, Guo, Hua, Neumark, Daniel M.

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Conical Intersections:  The New Conventional Wisdom von Yarkony, David R

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Accurate nonadiabatic dynamics von Guo, Hua, Yarkony, David R

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A Quasi-Diabatic Representation of the 1,21A States of Methylamine von Wang, Yuchen, Xie, Changjian, Guo, Hua, Yarkony, David R

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Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A‑Band von Xie, Changjian, Ma, Jianyi, Zhu, Xiaolei, Zhang, Dong Hui, Yarkony, David R, Xie, Daiqian, Guo, Hua

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The anion photoelectron spectrum and diabatization of tetrazolyl von Avanessian, Chris, Yarkony, David R.

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Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices von Avanessian, Chris, Wang, Yuchen, Yarkony, David R.

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Conical Intersections:  Diabolical and Often Misunderstood von Yarkony, David R

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Permutation invariant polynomial neural network approach to fitting potential energy surfaces. IV. Coupled diabatic potential energy matrices von Xie, Changjian, Zhu, Xiaolei, Yarkony, David R., Guo, Hua

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Accurate Neural Network Representation of the Ab Initio Determined Spin–Orbit Interaction in the Diabatic Representation Including the Effects of Conical Intersections von Guan, Yafu, Yarkony, David R

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Fitting coupled potential energy surfaces for large systems: method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of fre... von Zhu, Xiaolei, Yarkony, David R

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Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism von Lischka, Hans, Dallos, Michal, Szalay, Péter G, Yarkony, David R, Shepard, Ron

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High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics von Guan, Yafu, Xie, Changjian, Yarkony, David R, Guo, Hua

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Conical intersection seams in spin–orbit coupled systems with an even number of electrons: A numerical study based on neural network fit surfaces von Wang, Yuchen, Yarkony, David R.

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Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin–orbit and derivative couplings. Nonadiabatic phot... von Wang, Yuchen, Guo, Hua, Yarkony, David R

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Full-Dimensional Quantum Dynamics of Vibrationally Mediated Photodissociation of NH3 and ND3 on Coupled Ab Initio Potential Energy Surfaces: Absorption Spectra and NH2(Ã2A1)/NH2(X... von Ma, Jianyi, Xie, Changjian, Zhu, Xiaolei, Yarkony, David R, Xie, Daiqian, Guo, Hua

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