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Matrices conjugate density

McWeeny, R., Proc. Roy. Soc. [London) A237, 355, (ii) "The density matrix in self-consistent field theory. II. Applications in the molecular orbital theory of conjugated systems."... [Pg.349]

Millam, J. M., Scuseria, G. E., 1997, Linear Scaling Conjugate Gradient Density Matrix Search as an Alternative to Diagonalization for First Principles Electronic Structure Calculations , J. Chem. Phys., 106, 5569. [Pg.295]

The higher surface area of CNTs can support a much higher density of enzymes than previous approaches such as thin films. Their high aspect ratio aids in the retention of enzyme-CNT conjugates in the matrix. CNTs also enhance the stability of adsorbed proteins relative to micro- or macro-scale supports, thereby helping to preserve or enhance enzyme bioactivity in the nanocomposites (Wang,... [Pg.187]

Yaron, D., Moore, E.E., Shuai, Z., Bredas, J.L. Comparison of density matrix renormalization group calculations with electron-hole models of exciton binding in conjugated polymers. J. Chem. Phys. 1998, 108(17), 7451. [Pg.161]

It is not possible to write (1.6) as a matrix sandwiched between a single wave function and its conjugate as in (1.2). To write it nonetheless in a compact fashion one defines a density matrix p by... [Pg.424]

Figure 15. Feynman diagrams for r > 0 where rephasing is possible and r < 0 where rephasing is not possible. Note that for r > 0 the density matrix element during r and ( are complex conjugate of each other, but they have the same phase for r < 0. Figure 15. Feynman diagrams for r > 0 where rephasing is possible and r < 0 where rephasing is not possible. Note that for r > 0 the density matrix element during r and ( are complex conjugate of each other, but they have the same phase for r < 0.

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