Intermediate Hamiltonian Fock Space Multireference Coupled Cluster Approach to Core Excitation Spectra-Reference-Cited by-同舟云学术

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Intermediate Hamiltonian Fock Space Multireference Coupled Cluster Approach to Core Excitation Spectra

Published:2014-08-28 Issue:9 Volume:10 Page:3656-3668
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Dutta Achintya Kumar¹,Gupta Jitendra¹,Vaval Nayana¹,Pal Sourav¹

Affiliation:

1. Physical Chemistry Division, CSIR-National Chemical Laboratory, Pune 411008, India

Funder

Council of Scientific and Industrial Research

Department of Science and Technology, Ministry of Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500285e

Reference88 articles.

1. Stöhr, J.InNEXAFS Spectroscopy;Ertl, G., Gome, R., Mills, D. L., Eds.Springer-Verlag:Berlin, Germany, 1996; pp292–350.

2. Description of core‐excitation spectra by the open‐shell electron‐attachment equation‐of‐motion coupled cluster method

3. Correlation of molecular valence‐ andK‐shell photoionization resonances with bond lengths

4. Detailed study of pyridine at the C 1sand N 1sionization thresholds: The influence of the vibrational fine structure

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