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The Journal of Chemical Physics|December 1, 2022
Spectroscopic signatures of states in the continuum characterized by a joint experimental and theoretical study of pyrroleMadhubani Mukherjee, T P Ragesh Kumar, Miloš Ranković, et al.
The Journal of Chemical Physics|December 1, 2022
Vibrational mode-specific polarization effect in circularly polarized stimulated Raman scatteringYuhui Li, Tao Li, Yuanqin Yu, et al.
The Journal of Chemical Physics|December 1, 2022
A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmarkKshitijkumar Surjuse, Somesh Chamoli, Malaya K Nayak, et al.
The Journal of Chemical Physics|December 1, 2022
Pushing the limits: Efficient wavefunction methods for excited states in complex systems using frozen-density embeddingRobert S Treß, Jing Liu, Christof Hättig, et al.
The Journal of Chemical Physics|December 1, 2022
Identifying incoherent mixing effects in the coherent two-dimensional photocurrent excitation spectra of semiconductorsIlaria Bargigia, Elizabeth Gutiérrez-Meza, David A Valverde-Chávez, et al.
The Journal of Chemical Physics|December 1, 2022
Multiplicative potentials for kinetic energy and exact exchangeYan Oueis, Viktor N Staroverov
The Journal of Chemical Physics|July 8, 2022
Resonance and electrostatics making the difference in boron- and aluminum-halide structures and exchange reactivityGabriela Molina-Aguirre, Keith H Pannell, Balazs Pinter
The Journal of Chemical Physics|July 8, 2022
Freezing density scaling of fluid transport properties: Application to liquefied noble gasesS A Khrapak, A G Khrapak
The Journal of Chemical Physics|July 8, 2022
Successes and challenges in using machine-learned activation energies in kinetic simulationsI Ismail, C Robertson, S Habershon
The Journal of Chemical Physics|July 8, 2022
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet N-electron systemsElías Ríos, Diego R Alcoba, Luis Lain, et al.
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