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01/2010, Topics in Current Chemistry Ser., ISBN 128072739X
Annotation This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports... 
Web Resource
Journal of Chemical Theory and Computation, ISSN 1549-9618, 04/2016, Volume 12, Issue 4, pp. 1760 - 1771
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 07/2014, Volume 114, Issue 13, pp. 823 - 837
Journal Article
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, ISSN 1549-9618, 11/2019, Volume 15, Issue 11, pp. 5925 - 5964
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 12/2004, Volume 121, Issue 22, pp. 10945 - 10956
In order to achieve exact decoupling of the Dirac Hamiltonian within a unitary transformation scheme, we have discussed in part I of this series that either a... 
DENSITY-FUNCTIONAL-THEORY | ALPHA | ACCURATE | RELATIVISTIC QUANTUM-CHEMISTRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMIC AND MOLECULAR PHYSICS | HAMILTONIANS | ALGORITHMS | DECOUPLING | DIRAC EQUATION | DIRAC OPERATORS | ITERATIVE METHODS | SPECTRA | GROUND STATES | BOUND STATE | RELATIVISTIC RANGE
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 08/2016, Volume 56, Issue 8, p. 1470
  Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and the comparison of their energies. Already the setup... 
Molecules | Energy | Chemical reactions | Oxidation
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 10/2013, Volume 117, Issue 40, p. 11943
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 10/2013, Volume 117, Issue 40, p. 11943
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 03/2019, Volume 150, Issue 9, p. 094113
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2004, Volume 121, Issue 5, pp. 2037 - 2047
Exact decoupling of positive- and negative-energy states in relativistic quantum chemistry is discussed in the framework of unitary transformation techniques.... 
PERTURBATION-THEORY | ACCURATE | FOLDY-WOUTHUYSEN TRANSFORMATION | RELATIVISTIC CORRECTIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FRAMEWORK | CHEMISTRY, PHYSICAL | HIGH-ORDER | ELECTRONIC-STRUCTURE CALCULATIONS | EQUATION
Journal Article
Journal Article
New Journal of Physics, ISSN 1367-2630, 11/2016, Volume 18, Issue 11, p. 113001
Journal Article
CHIMIA International Journal for Chemistry, ISSN 0009-4293, 03/2009, Volume 63, Issue 3, pp. 140 - 145
Journal Article
01/2015, ISBN 3527667555, Volume 9783527334155
Book
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