Search

Categories

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

spin-flip methods

Authors

3 results in Keywords: spin-flip methods

Theoretical and Computational Chemistry

Spin-Orbit Matrix Elements for a Combined Spin-Flip and IP/EA Approach

Oinam Meitei, Shannon Houck, Nicholas Mayhall

Version 1 posted 29 January 2020

1,193

Downloads

Theoretical and Computational Chemistry

A spin-flip variant of the second-order approximate coupled-cluster singles and doubles method

Garrette Pauley Paran, Cansu Utku, Thomas-Christian Jagau

Version 1 posted 12 October 2022

171

Downloads

Theoretical and Computational Chemistry

Magnetic Exchange Interactions in Binuclear and Tetranuclear Iron (III) Complexes Described by Spin-Flip DFT and Heisenberg Effective Hamiltonians

Saikiran Kotaru, Sven Kähler, Maristella Alessio, Anna I. Krylov

Version 3 posted 15 April 2022

475

Downloads