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An extended semiclassical initial value representation approach to IR spectroscopy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024122 (2025)
Published: July 2025
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A practical quasi-classical trajectory method to avoid zero-point energy leakage in dissociative chemisorption of polyatomic molecules on surfaces
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 014706 (2025)
Published: July 2025
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From all-atom to rigid monomer treatment of molecular clusters
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 214101 (2025)
Published: June 2025
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Analysis of variants of non-adiabatic ring polymer molecular dynamics for calculating excited state dynamics
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The Journal of Chemical Physics
J. Chem. Phys. 162, 174104 (2025)
Published: May 2025
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Quantum stereodynamical control of charge transfer in low-temperature H+ + NO (v = 0, j = 2) collisions
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The Journal of Chemical Physics
J. Chem. Phys. 162, 164306 (2025)
Published: April 2025
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Cold H + O2 collisions: Impact of resonances, geometric phase, and alignment
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The Journal of Chemical Physics
J. Chem. Phys. 162, 074301 (2025)
Published: February 2025
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Non-adiabatic quantum electrodynamic effects on electron–nucleus–photon systems: Single photonic mode vs infinite photonic modes
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The Journal of Chemical Physics
J. Chem. Phys. 162, 034107 (2025)
Published: January 2025
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Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water
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The Journal of Chemical Physics
J. Chem. Phys. 161, 204109 (2024)
Published: November 2024
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Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics
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The Journal of Chemical Physics
J. Chem. Phys. 161, 094110 (2024)
Published: September 2024
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Atomic momentum distributions in polyatomic molecules in rotational–vibrational eigenstates
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The Journal of Chemical Physics
J. Chem. Phys. 161, 094105 (2024)
Published: September 2024
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Two liquid states of distinguishable helium-4: The existence of another non-superfluid frozen by heating
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 044501 (2024)
Published: July 2024
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Anharmonic and quantum effects in Pm 3 ̄ AlM(M = Hf, Zr)H6 under high pressure: A first-principles study
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The Journal of Chemical Physics
J. Chem. Phys. 161, 024504 (2024)
Published: July 2024
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On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 014306 (2024)
Published: July 2024
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Extending non-adiabatic rate theory to strong electronic couplings in the Marcus inverted regime
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 014101 (2024)
Published: July 2024
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