[PDF] Top 20 Functional N Representability in 2 Matrix, 1 Matrix, and Density Functional Theories
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Functional N Representability in 2 Matrix, 1 Matrix, and Density Functional Theories
... the N- representability conditions for the 2-RDM are intimately tied to the reconstruction of the 3- and 4-RDM in the context of the CSE ...the N-repre- sentability problem became a basic ... See full document
10
A Variational Framework for Spectral Discretization of the Density Matrix in Kohn-Sham Density Functional Theory
... unique functional of the electron density derived from ground- state ...electron density is relevant. What led Kohn and Hohenberg to the electron density of the system? In fact, Kohn-Hohenberg ... See full document
146
Linear scaling density functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra
... banding of Fig. 2. The simple algorithm just desribed thus begins to sale poorly with P at around P = 200 and very little further inrease in speed is obtained beyond about P = 500 [13℄. Note that this was ... See full document
23
Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix
... phases, density functional theory 8,9 共DFT兲 constitutes a powerful ...low- density expansion of the 共exact兲 free energy functional is truncated at the second virial ... See full document
8
Density functional theories and self-energy approaches
... Fortunately, we seldom need the full solution of the Schr¨odinger equation. When one is interested in structural properties, the ground-state total energy of the system is sufficient. In other cases, we want to study how ... See full document
37
Fission barriers from multidimensionally-constrained covariant density functional theories
... Due to the shell e ff ects, many actinide nuclei are found to be characterized by the two-humped fission barrier [28– 37]. Consequently any models concerning the fission phe- nomena should be able to reproduce the ... See full document
6
Density-functional theory and the v-representability problem for model strongly correlated electron-systems
... the density coefficients ...hopping matrix, the number of relevant variables is in fact just M − 2 instead of M ...target density coefficients, one is triv- ially determined by the requirement ... See full document
11
The road to functional recovery : temporal effects of matrix regeneration on Amazonian bats
... Many fragmentation studies are hampered by the fact that they typically only provide a brief snapshot in time as most research is carried out in the form of short-term projects. In contrast to the evaluation of species ... See full document
5
Generalization of Nambu-Hamilton equation and extension of Nambu-Poisson bracket to superspace
... R n|2 with n real and two Grassmann coordinates and show that for any invertible second order functional matrix it splits into the sum of two ternary brackets, where one is usual ... See full document
10
Certain Problems of the Circuit Test Diagnosis
... Thus, there is an active diagnosed multipole network А with n independent nodes. Parameters of a subset of its elements which are incidental to nodes with numbers (1,...,n) are to be determined. To ... See full document
5
Stability of functional inequalities in matrix random normed spaces
... 9. Hyers, DH: On the stability of the linear functional equation. Proc. Natl. Acad. Sci. USA 27, 222-224 (1941) 10. Aoki, T: On the stability of the linear transformation in Banach spaces. J. Math. Soc. Jpn. ... See full document
12
Existence and convergence results for the Galerkin approximation of an electronic density functional
... convergence theory for Galerkin discretizations of orbital-free electronic density functionals. In Section 2.1 we first formulate a model in a bounded domain that allows the simulation of finite clusters or ... See full document
29
The nature and functional significance of dentin extracellular matrix proteins
... Int J II lIi"t 39 169 179 ( 1995) The nature and functional significance of dentin extracellular matrix proteins WilLIAM T BUTLER' and HELENARITCHIE Department of Basic Sciences The University of Texa[.] ... See full document
11
The thermodynamic Bethe Ansatz approach to exactly solvable models in statistical mechanics and quantum field theory
... the 2-dimensional Ising model (with zero external field) in 1944 by Onsager [17], it was realised that the mean field approach produces quantitatively incorrect results in the vicinity of the critical point ...in ... See full document
115
Hyers Ulam stability of functional equations in matrix normed spaces
... 9. Hyers, DH: On the stability of the linear functional equation. Proc. Natl. Acad. Sci. USA 27, 222-224 (1941) 10. Aoki, T: On the stability of the linear transformation in Banach spaces. J. Math. Soc. Jpn. ... See full document
11
Functional polymorphisms in matrix metalloproteinases -1, -3, -9 and -12 in relation to cervical artery dissection
... The results of the present study do not support the hypothesis that polymorphisms in MMP-1, -3, -9 and -12 leading to an increased expression rate of the correspond- ing enzyme are susceptibility factors of sCAD. ... See full document
5
Adsorption of vinazene molecule on graphene layer by computational approach
... Dörr, N., ... & Vernes, A., 2014. Density Functional Investigation of the Adsorption of Isooctane, Ethanol, and Acetic Acid on a Water-Covered Fe (100) ... See full document
26
Fuzzy stability of functional inequalities in matrix fuzzy normed spaces
... 1. Katsaras, AK: Fuzzy topological vector spaces II. Fuzzy Sets Syst. 12, 143-154 (1984) 2. Felbin, C: Finite dimensional fuzzy normed linear spaces. Fuzzy Sets Syst. 48, 239-248 (1992) 3. Krishna, SV, ... See full document
28
Matrix method for solving linear complex vector functional equations
... The general solution of the homogeneous equation E(f ) = O given in a matrix form according to Theorem 2.1 is BH, where B and H are defined by (2.3) and (2.12), respectively, and a particular solution of the ... See full document
22
Functional and antigenic domains of the matrix (M1) protein of influenza A virus.
... Comparative binding of M1 protein or its cleaved peptides to DPPC small unilamellar vesicles and effect of monoclonal antibodies Protein or peptidea MAb Fab presentb % Reconstitution Int[r] ... See full document
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