Work

Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin–Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy

Year: 2024

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.4c01028

Authors: Diandong Tang, Shichao Sun, Xiaosong Li

Institutions: University of Washington, University of California, Irvine

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, U.S. Department of Energy

Awards: Collaborative Proposal: Frameworks: Sustainable Open-Source Quantum Dynamics and Spectroscopy Software, FROM ACCURATE VARIATIONAL RELATIVISTIC ELECTRONIC STRUCTURE THEORY TO PRACTICAL APPLICATIONS IN HEAVY-ELEMENT CHEMISTRY, Manifestation of Magnetic Field Effects in Molecular Dynamics

OpenAlex ID: W4404122903

FWCI: 1.276

Cites: 96

Cited by: 8

Related to: 10