Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group-Reference-Cited by-同舟云学术

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Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group

Published:2022-07-26 Issue:30 Volume:126 Page:5011-5020
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hoyer Chad E.¹,Hu Hang¹,Lu Lixin¹^ORCID,Knecht Stefan²³⁴,Li Xiaosong¹^ORCID

Affiliation:

1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States

2. Algorithmiq Ltd., Kanavakatu 3C, FI-00160 Helsinki, Finland

3. Abteilung SHE Chemie, GSI Helmholtzzentrum für Schwerionenforschung, DE-64291 Darmstadt, Germany

4. Department Chemie, Johannes-Gutenberg Universität Mainz, DE-55128 Mainz, Germany

Funder

Basic Energy Sciences

GSI Darmstadt

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c02150

Reference82 articles.

1. Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximation

2. Relativistic Effects in Chemistry: More Common Than You Thought

3. Spin-orbit coupling and intersystem crossing in molecules

4. Intersystem Crossings in Late-Row Elements: A Perspective

5. THE CONSTRUCTION AND INTERPRETATION OF MCSCF WAVEFUNCTIONS

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1. State Interaction for Relativistic Four-Component Methods: Choose the Right Zeroth-Order Hamiltonian for Late-Row Elements;Journal of Chemical Theory and Computation;2024-09-10

2. Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units;Journal of Chemical Theory and Computation;2024-09-03

3. Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections;The Journal of Physical Chemistry A;2024-07-29

4. Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory;The Journal of Physical Chemistry A;2024-04-23

5. Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency;Journal of the American Chemical Society;2024-04-22

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