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An ab Initio Linear Response Method for Computing Magnetic Circular Dichroism Spectra with Nonperturbative Treatment of Magnetic Field

artículo científico publicado en 2019

Attosecond Charge Migration in Molecules Imaged by Combined X-ray and Electron Diffraction

artículo científico publicado en 2022

Efficient Four-Component Dirac–Coulomb–Gaunt Hartree–Fock in the Pauli Spinor Representation

artículo científico publicado en 2021

Efficient evaluation of the Breit operator in the Pauli spinor basis

artículo científico publicado en 2022

Generalized Hartree-Fock with Nonperturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions

artículo científico publicado en 2018

Manipulating Attosecond Charge Migration in Molecules by Optical Cavities

artículo científico publicado en 2023

Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems

artículo científico publicado en 2020

Simulating Magnetic Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory in Gauge Including Atomic Orbitals

scientific article published on 07 November 2019

The Role of Excited-State Proton Relays in the Photochemical Dynamics of Water Nanodroplets

scientific article published on 20 June 2019

Toward Better Understanding of Molecular Magnetic Properties with Ab Initio Simulation Methods ⬇️

doctoral dissertation by Shichao Sun, Chemistry, University of Washington, 2020

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