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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Champion

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

deadlock

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

Immunoglobulin

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

玉米

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

愤世嫉俗者

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

愤世嫉俗者

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

PALMY

描绘

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

强行引入

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