Triple excitation effects in coupled cluster calculations of Verdet constants

6533b7ddfe1ef96bd1273ef4

RESEARCH PRODUCT

Triple excitation effects in coupled cluster calculations of Verdet constants

Ove Christiansen Jürgen Gauss Sonia Coriani Poul Jørgensen

subject

Coupled cluster Chemistry General Physics and Astronomy Order (group theory)Physical and Theoretical Chemistry Atomic physics Excitation

description

Abstract The CC3 approach has been employed to calculate the Verdet constants of N 2 ,C 2 H 2 , and CH 4 . For N 2 and C 2 H 2 , relatively large triples contributions are found which need to be included in order to reach close agreement with the experimental constants.

year	journal	country	edition	language
2000-11-01

https://hdl.handle.net/11368/1692071

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