Advances in relativistic molecular quantum mechanics

Author:

Liu Wenjian

Publisher

Elsevier BV

Subject

General Physics and Astronomy

Reference188 articles.

1. The physics behind chemistry and the periodic table;Pyykkö;Chem. Rev.,2012

2. The generic acronym X2C (pronounced as “ecstacy”) for exact two-component Hamiltonians resulted from intensive discussions among H. J. Aa. Jensen, W. Kutzelnigg, W. Liu, T. Saue and L. Visscher during the Twelfth International Conference on the Applications of Density Functional Theory (DFT-2007), Amsterdam, 26–30 August 2007. Note that the “exact” here means only that all the solutions of the Dirac-based Hamiltonian can be reproduced up to machine accuracy. It is particularly meaningful when compared with finite order quasirelativistic theories.

3. Ideas of relativistic quantum chemistry;Liu;Mol. Phys.,2010

4. Relativistic Hamiltonians for chemistry: a primer;Saue;Chem. Phys. Chem.,2011

5. Exact decoupling of the relativistic Fock operator;Peng;Theor. Chem. Acc.,2012

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