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Communication: Four-component density matrix renormalization group
2. K. G. Dyall and K. Fægri, Introduction to Relativistic Quantum Chemistry (Oxford University Press, Oxford, 2007).
3. M. Reiher and A. Wolf, Relativistic Quantum Chemistry (Wiley-VCH, Weinheim, 2009).
11. Ö. Legeza, R. Noack, J. Sólyom, and L. Tincani, Computational Many-Particle Physics, Lecture Notes in Physics Vol. 739, edited by H. Fehske, R. Schneider, and A. Weibe (Springer, Berlin, 2008), pp. 653–664.
18. J. Thyssen, Ph.D. thesis, University of Southern Denmark, 2001.
19. Ö. Legeza
, T. Rohwedder
, R. Schneider
, and S. Szalay
, “Tensor product approximation (DMRG) and coupled cluster method in quantum chemistry
,” preprint arXiv:1310.2736
45. Ö. Legeza, QC-DMRG-BUDAPEST, 2000–2013, HAS Wigner Budapest.
46.Option .MP2 NO in the wave function section of Dirac12.
, a string-based quantum chemical program suite written by M. Kállay. See also Ref. 51
as well as http://www.mrcc.hu/
56. Molecular Spectra and Molecular Structure Constants of Diatomic Molecules, edited by K. Huber and G. Herzberg (Van Nostrand, New York, 1979).
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We present the first implementation of the relativistic quantum chemical two- and four-component density matrix renormalization group algorithm that includes a variational description of scalar-relativistic effects and spin–orbit coupling. Numerical results based on the four-component Dirac–Coulomb Hamiltonian are presented for the standard reference molecule for correlated relativistic benchmarks: thallium hydride.
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