Rotational g Tensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach-Reference-Cited by-同舟云学术

Rotational g Tensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach

Published:2006-04-15 Issue:3 Volume:2 Page:827-834
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ola B. Lutnæs, ¹,Teale Andrew M.¹,Helgaker Trygve¹,Tozer David J.¹

Affiliation:

1. Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, N-0315 Oslo, Norway, and Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct060038n

Reference62 articles.

1. The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments (gvalues), magnetic susceptibilities, and molecular quadrupole moments

2. Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters

3. Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors

4. Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

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