Introducing the ELF Topological Analysis in the Field of Quasirelativistic Quantum Calculations-Reference-Cited by-同舟云学术

Introducing the ELF Topological Analysis in the Field of Quasirelativistic Quantum Calculations

Published:2012-08-27 Issue:9 Volume:8 Page:2985-2990
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pilmé Julien¹,Renault Eric²,Ayed Tahra²,Montavon Gilles³,Galland Nicolas²

Affiliation:

1. Laboratoire de Chimie Théorique, UMR 7616 CNRS, Université Pierre et Marie Curie, Sorbonne Universités, Case Courier 137, 4 place Jussieu, 75252 Paris Cedex 05, France

2. CEISAM, UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3, France

3. SUBATECH, UMR CNRS 6457, IN2P3/EMN Nantes/Université de Nantes, 4 rue A. Kastler, BP 20722, 44307 Nantes Cedex 3, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300558k

Reference58 articles.

1. Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction

2. Principles of direct 4-component relativistic SCF: application to caesium auride

3. Pseudospectral approach to relativistic molecular theory

4. All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements

5. Relativistic Hamiltonians for Chemistry: A Primer

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