Download e-book for kindle: Advances in Chemical Physics, Reduced-Density-Matrix by David A. Mazziotti

By David A. Mazziotti

ISBN-10: 047010659X

ISBN-13: 9780470106594

ISBN-10: 0471790567

ISBN-13: 9780471790563

An updated account of this state-of-the-art examine in a constant and comprehensible framework, of exact curiosity to specialists in different parts of digital constitution and/or quantum many-body concept. it's going to serve both good as a self-contained advisor to studying approximately diminished density matrices both via self-study or in a lecture room in addition to a useful source for realizing the serious developments within the box.

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By David A. Mazziotti

ISBN-10: 047010659X

ISBN-13: 9780470106594

ISBN-10: 0471790567

ISBN-13: 9780471790563

An updated account of this state-of-the-art examine in a constant and comprehensible framework, of exact curiosity to specialists in different parts of digital constitution and/or quantum many-body concept. it's going to serve both good as a self-contained advisor to studying approximately diminished density matrices both via self-study or in a lecture room in addition to a useful source for realizing the serious developments within the box.

Show description

Read Online or Download Advances in Chemical Physics, Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules (Volume 134) PDF

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Additional info for Advances in Chemical Physics, Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules (Volume 134)

Example text

V. Mihailovic´, and M. Rosina, A new particle–hole approach to collective states. Nucl. Phys. A202, 127–144 (1973). 27. M. Bouten, P. Van Leuven, M. V. Mihailovic´, and M. Rosina, Two exactly soluble models as a test of the Hermitian operator method. Nucl. Phys. A221, 173–182 (1974). 28. M. Rosina, The calculation of excited states in the particle–hole space using the two-body density matrix of the ground state, in Proceedings of the International Conference on Nuclear Structure and Spectroscopy, Vol.

8) are ^D ¼ ^ ayj ^ ayk ayi ^ C i; j;k ð18Þ ^E C i; j;k ^F C i; j;k ^Q C i; j;k ¼ ^ ayi ^ ayj ^ ak ð19Þ ¼ ^ ai ^ aj ^ ayk ð20Þ ¼^ ai ^ aj ^ ak ð21Þ Basis functions between these vector spaces are orthogonal because they are contained in Hilbert spaces with different numbers of particles. (14) and (15) for the 2-positive metric matrices, the 3-positive metric matrices are connected by linear mappings, which can be derived by rearranging the second-quantized operators. A 2-RDM is defined to be 3-positive if it arises from the contraction of a 3-positive 3-RDM: 2 Di;j p;q ¼ 1 X 3 i;j;k Dp;q;k NÀ2 k ð26Þ variational two-electron reduced-density-matrix theory 27 Physically, the 3-positivity conditions restrict the probability distributions for ‘‘three particles,’’ ‘‘two particles and one hole,’’ ‘‘one particle and two holes,’’ and ‘‘three holes’’ to be nonnegative with respect to all unitary transformations of the one-particle basis set.

M. Erdahl, A lower bound to the ground state energy of a boson system with fermion source, in Density Matrices and Density Functionals (R. M. Erdahl and V. H. ), Reidel, Dordrecht, 1987, p. 231. 16. M. Rosina, Some theorems on uniqueness and reconstruction of higher-order density matrices, in Many-Electron Densities and Reduced Density Matrices (J. ), Kluwer Academic/ Plenum Publishers, New York, 2000, pp. 19–32. 17. M. V. Mihailovic´ and M. Rosina, The variational approach to the density matrix for light nuclei.

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Advances in Chemical Physics, Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules (Volume 134) by David A. Mazziotti


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