Valence and Rydberg states of CH3Cl: a MR-CISD study-Reference-Cited by-同舟云学术

Valence and Rydberg states of CH3Cl: a MR-CISD study

Published:2014 Issue:109 Volume:4 Page:64085-64092
ISSN:2046-2069
Container-title:RSC Adv.
language:en
Short-container-title:RSC Adv.

Author:

de Medeiros Vanessa C.¹²³⁴,do Monte Silmar A.¹²³⁴,Ventura Elizete¹²³⁴

Affiliation:

1. Departamento de Química

2. CCEN

3. Universidade Federal da Paraíba

4. João Pessoa, Brazil

Abstract

In this work ten singlet and nine triplet states are studied through multi-reference configuration interactions with singles and doubles (MR-CISD), including Davidson extensivity correction (MR-CISD+Q).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2014/RA/C4RA10567B

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