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Titlebook: Density Matrices and Density Functionals; Proceedings of the A Robert Erdahl,Vadene H. Smith Conference proceedings 1987 D. Reidel Publishi

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書目名稱Density Matrices and Density Functionals
副標題Proceedings of the A
編輯Robert Erdahl,Vadene H. Smith
視頻videohttp://file.papertrans.cn/266/265636/265636.mp4
圖書封面Titlebook: Density Matrices and Density Functionals; Proceedings of the A Robert Erdahl,Vadene H. Smith Conference proceedings 1987 D. Reidel Publishi
描述THE COLEMAN SYMPOSIUM This collection of papers is dedicated to Albert John Coleman for his enthusiastic devotion to teaching and research and his many scientific accomplishments. John was born in Toronto on May 20, 1918 and 21 years later graduated from the University of Toronto in mathematics. Along the way he teamed up with Irving Kaplansky and Nathan Mendelson to win the first William Lowell Putnam Mathematical Competition in 1938. He earned his M.A. at Princeton in 1942 and then his Ph.D. at Toronto in 1943 in relativistic quantum mechanics under the direction of Leopold Infeld. During this period he was secretary of the Student Christian Movement in Toronto. Later, in 1945, he became traveling secretary of the World‘s Student Christian Federation in Geneva and in this capacity visited some 100 universities in 20 countries in the next four years. He spent the 50‘s as a member of the faculty at the University of Toronto and for 20 years, starting in 1960, he served as Dupuis Professor of Mathematics and Head of the Department at Queen‘s University. Since 1983 he has been Professor Emeritus at Queen‘s.
出版日期Conference proceedings 1987
關(guān)鍵詞Atom; Boson; Schr?dinger equation; crystallography; decomposition; density; development; electron; entropy; g
版次1
doihttps://doi.org/10.1007/978-94-009-3855-7
isbn_softcover978-94-010-8214-3
isbn_ebook978-94-009-3855-7
copyrightD. Reidel Publishing Company, Dordrecht, Holland 1987
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發(fā)表于 2025-3-21 21:19:38 | 只看該作者
Representability Conditions,e of those memorable mid-night sessions at Sanibel when we were discussing N-representability, Per-Olov sprang forward, took the chalk from my hand and demanded — ‘Have you considered the more general problem of ensemble representability?’”A non-pure state being a convex combination of pure, the col
板凳
發(fā)表于 2025-3-22 00:25:18 | 只看該作者
On the Diagonal N-Representability Problem,sity matrix (RDM-2). This difficult problem, first explicitly formulated by A.J. Coleman [1], has not yet been resolved even in its weakened diagonal form. Very general results have been obtained by means of the theory of convex sets, [2]. It seems that the most interesting achievement attained alon
地板
發(fā)表于 2025-3-22 05:38:05 | 只看該作者
Fermion N-Representability Conditions Generated by a Decomposition of the 1-Particle Identity Opera fermion reduced 2-density operators is a convex set and the ground state energy of a system can be determined variationally by minimizing the functional . over the set P. (h. is the reduced hamiltonian). However, a complete characterization of P. has not yet been given. It has been shown [22] that
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Time Dependent Antisymmetrized Geminal Power Theory using a Coherent State Formulation,es, with the number of particles n acting as the “charge”. The family of Hartree-Fock-Bogoliubov (HFB) states for the same set of spin orbitals form a set of coherent states that are generating functions for the AGP coherent states for all n. The approximate time evolution of the system generated by
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發(fā)表于 2025-3-22 16:27:34 | 只看該作者
Griffiths Inequalities for Fermion Systems, peculiar characteristics of the system at hand. Such information may be used very explicitly, as in the development of Hamiltonian-dependent inequalities, or in a weaker fashion, paying attention to such matters as the sign of the interaction. This latter category is represented in classical lattic
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發(fā)表于 2025-3-22 20:36:11 | 只看該作者
Entropy of Reduced Density Matrices,sity matrix representing the state of an N-particle system to the entropy of the corresponding reduced density matrices. One important inequality of this type is.where ρ. is the 1-particle density matrix of the system. The density matrices are normalized so that Trρ. = 1 and Trρ. = N; the upper sign
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Reduced Density Operators, Their Related von Neumann Density Operators, Close Cousins of These, andtom or molecule) can be realized as an idealization of the statistical von Neumann density operator of the ion formed from that pure stationary state in an appropriate sudden ionization experiment. The N-electron Hermitian operator whose matrix representation is the Garrod and Percus G-Matrix (the m
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Theory and Practice of the Spin-Adapted Reduced Hamiltonians (SRH),matrices as describing in an average way independent pairs of electrons. Using this idea an approximate method is devised for the direct determination of the second order reduced density matrices. This method is described in detail here. Some of the results recently obtained [22–23] for the Berylliu
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