Mansoori G A and Canfield F B 1969 Variational approach to the equilibrium properties of simple liquids I J. Chem. Phys. 51 4958 [Pg.555]

Y. Suzuki and K. Varga, Stochastic Variational Approach to Quantum Mechanical Few-Body Problems, Springer-Verlag, Berlin, 1998. [Pg.473]

Haslinger J., Panagiotopoulos P.D. (1984) The reciprocal variational approach to the Signorini problem with friction. Approximation results. Proc. Roy. Soc. Edinburgh 98A, 365-383. [Pg.378]

Selective Photodynamic Control of Chemical Reactions A Rayleigh-Ritz Variational Approach [Pg.261]

Khludnev A.M. (1983) A contact problem of a linear elastic body and a rigid punch (variational approach). Appls. Maths. Mechs. 47 (6), 999-1005 (in Russian). [Pg.378]

The present approach is one of the second-generation multireference perturbation treatments first opened by the CIPSI algorithm 20 years ago. Even if the spirit of these new treatments is different, mainly because the reference space is chosen on its completeness rather than on energetical criteria, it remains that the unavoidable problems of disk storage, bottleneck of variational approaches, can now be conveniently transferred to the problem of CPU time which is less restrictive. [Pg.51]

The density functional (DF) method has been successful and quite useful in correlating experimental results when model densities are used in the calculations. In fact, the equations characteristic of the DF method can be derived from a variational approach as Kohn and Sham showed some time ago. In this approach, when model densities are introduced, it is not always possible to relate such densities to corresponding wave functions this is the N-representability problem. Fortunately, for any normalized well behaved density there exists a Slater single determinant this type of density is then N-representable. The problem of approximately N-representable density functional density matrices has been recently discussed by Soirat et al. [118], In spite [Pg.300]

In Fig. 1 the absorption spectra for a number of values of excitonic bandwidth B are depicted. The phonon energy Uq is chosen as energy unit there. The presented pictures correspond to three cases of relation between values of phonon and excitonic bandwidths - B < ujq, B = u)o, B > ujq- The first picture [B = 0.3) corresponds to the antiadiabatic limit B -C ljq), which can be handled with the small polaron theories [3]. The last picture(B = 10) represents the adiabatic limit (B wo), that fitted for the use of variation approaches [2]. The intermediate cases B=0.8 and B=1 can t be treated with these techniques. The overall behavior of spectra seems to be reasonable and [Pg.453]

Due to difficulties and uncertainties in the experimental separation of the porous media [93], and the inevitability of approximations in the analytical treatment [87,89], the nature of the chain movement in a random environment is still far from being well understood, and theoretical predictions are controversial [87,89]. Thus, on the ground of replica calculations within a variational approach, one predicts three regimes [87] in which the chain gyration radius Rg scales with the number of repeatable units N as rI (X for low, R x N for medium, and R x for high [Pg.600]

Truncation at the first-order temi is justified when the higher-order tenns can be neglected. Wlien pe

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