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The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsity
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The Journal of Chemical Physics
J. Chem. Phys. 162, 184107 (2025)
Published: May 2025
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Richardson–Gaudin states of non-zero seniority: Matrix elements
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The Journal of Chemical Physics
J. Chem. Phys. 162, 134106 (2025)
Published: April 2025
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Modeling entanglement dynamics of molecules interacting with entangled photons through Lindblad master equation approach
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The Journal of Chemical Physics
J. Chem. Phys. 162, 114106 (2025)
Published: March 2025
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Numerically stable resonating Hartree–Fock
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The Journal of Chemical Physics
J. Chem. Phys. 162, 104115 (2025)
Published: March 2025
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Revealing correlation mechanisms through nonorthogonal multiconfiguration self-consistent field calculations
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The Journal of Chemical Physics
J. Chem. Phys. 162, 104107 (2025)
Published: March 2025
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Inherent loss of parahydrogen-induced polarization for systems with magnetically equivalent nuclei in magnetic field cycling experiments
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The Journal of Chemical Physics
J. Chem. Phys. 162, 104112 (2025)
Published: March 2025
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Fractional charging of electronically open molecules: An explicit projection operator approach
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The Journal of Chemical Physics
J. Chem. Phys. 162, 094108 (2025)
Published: March 2025
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Ab initio spin-mapping non-adiabatic dynamics simulations of photochemistry
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The Journal of Chemical Physics
J. Chem. Phys. 162, 084105 (2025)
Published: February 2025
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Polariton spectra under the collective coupling regime. II. 2D non-linear spectra
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The Journal of Chemical Physics
J. Chem. Phys. 162, 074110 (2025)
Published: February 2025
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The time-fractional Schrödinger equation in the context of non-Markovian dynamics with dissipation
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The Journal of Chemical Physics
J. Chem. Phys. 162, 074310 (2025)
Published: February 2025
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Accurate prediction of electron correlation energies of topological atoms by delta learning from the Müller approximation
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The Journal of Chemical Physics
J. Chem. Phys. 162, 074102 (2025)
Published: February 2025
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Accelerating inverse Kohn–Sham calculations using reduced density matrices
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The Journal of Chemical Physics
J. Chem. Phys. 162, 064112 (2025)
Published: February 2025
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Xinwei Ji, Zheng Pei, Kim Ngan Huynh, Junjie Yang, Xiaoliang Pan, Binju Wang, Yuezhi Mao, Yihan Shao
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The Journal of Chemical Physics
J. Chem. Phys. 162, 064107 (2025)
Published: February 2025
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Decoherence dynamics in molecular qubits: Exponential, Gaussian and beyond
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The Journal of Chemical Physics
J. Chem. Phys. 162, 064106 (2025)
Published: February 2025
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Joint approximate diagonalization approach to quasiparticle self-consistent GW calculations
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The Journal of Chemical Physics
J. Chem. Phys. 162, 054121 (2025)
Published: February 2025
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Analytic calculation of transition dipole moment using four-component relativistic equation-of-motion coupled-cluster expectation value approach
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The Journal of Chemical Physics
J. Chem. Phys. 162, 054115 (2025)
Published: February 2025
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