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Exploring the properties of light diatomic molecules in strong magnetic fields
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034115 (2025)
Published: July 2025
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Universal diabatic representation of operators using Cnv/Dnh symmetry. I. General derivation
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034112 (2025)
Published: July 2025
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Stochastic resolution of identity to CC2 for large systems: Oscillator strength and ground state gradient calculations
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024102 (2025)
Published: July 2025
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Finetuning laser-pulse frequencies for optimizing information content of femtosecond nonlinear spectroscopy: Ab initio simulations
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234105 (2025)
Published: June 2025
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EOM-CCSD calculation of metal K pre-edge spectra: 3d transition metal tetrachlorides
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The Journal of Chemical Physics
J. Chem. Phys. 162, 194306 (2025)
Published: May 2025
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Response properties from frozen-density embedding approximate second-order coupled-cluster theory
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The Journal of Chemical Physics
J. Chem. Phys. 162, 174110 (2025)
Published: May 2025
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Double-quantum two-dimensional electronic–vibrational spectroscopy: Theory. Vibronic coherences in nonadiabatic phenomena
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The Journal of Chemical Physics
J. Chem. Phys. 162, 174202 (2025)
Published: May 2025
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Computing photodissociation cross sections and quasi-continuum properties of the NH radical
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 144108 (2025)
Published: April 2025
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Transient absorption and anisotropy studies of a push–pull azo derivative with an isomerization path-selective local minimum in the ground state
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The Journal of Chemical Physics
J. Chem. Phys. 162, 124305 (2025)
Published: March 2025
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Effect of structural bending on the photophysical properties of perylene bisimide
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The Journal of Chemical Physics
J. Chem. Phys. 162, 114305 (2025)
Published: March 2025
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A relativistic third-order algebraic diagrammatic construction theory for electron detachment, attachment, and excitation problems
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The Journal of Chemical Physics
J. Chem. Phys. 162, 104106 (2025)
Published: March 2025
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Hidden asymmetry in one-dimensional alignment of chiral molecules
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The Journal of Chemical Physics
J. Chem. Phys. 162, 084303 (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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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 054115 (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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Higher-order effects and validity of the point-dipole approximation for conjugated extended molecular emitters near plasmonic nanostructures
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The Journal of Chemical Physics
J. Chem. Phys. 162, 034303 (2025)
Published: January 2025
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A computational study on the effect of structural isomerism on the excited state lifetime and redox energetics of archetype iridium photoredox catalyst platforms [Ir(ppy)2(bpy)]+ and Ir(ppy)3
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The Journal of Chemical Physics
J. Chem. Phys. 162, 024306 (2025)
Published: January 2025
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Electronic states of the N 2 + ion dissociating to the four lowest dissociation limits: Energies, transition dipole moments, and Einstein coefficients
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 244306 (2024)
Published: December 2024
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Theory of molecular emission power spectra. III. Non-Hermitian interactions in multichromophoric systems coupled with polaritons
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 234113 (2024)
Published: December 2024
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