ABSTRACTThe Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on the advances made in the past decade. Rather than solely relying on spectral gap assumptions (non-degeneracy of the ground state), we highlight the importance of coercivity assumptions – Gårding type inequalities – for the local uniqueness of the CC solution. Based on local strong monotonicity, different sufficient conditions for a local unique solution are suggested. One of the criteria assumes the relative smallness of the total cluster amplitudes (after possibly removing the single amplitudes) compared to the Gårding constants. In the extended CC theory the Lagrange multipliers are wave function parameters and, by means of the bivariational principle, we here derive a connection between the exact cluster amplitudes and the Lagrange multipliers. This relation might prove useful when determining the quality of a CC solution. Furthermore, the use of an Aubin–Nitsche duality type method in different CC approaches is discussed and contrasted with the bivariational principle. 相似文献
For the long-range deterministic spin models with glassy behaviour of Marinari, Parisi and Ritort we prove weighted factorization properties of the correlation functions which represent the natural generalization of the factorization rules valid for the Curie–Weiss case. 相似文献
An extended technicolour grand unification model based on the gauge groupE6×SU(7) extended technicolour is presented. The symmetry-breaking based on extended technicolour theory is discussed. It is
shown that the existing phenomenology is well explained by the model. The strangeness changing neutral currents may not be
a problem with this model. 相似文献
We introduce a new construction algorithm for digital nets for integration in certain weighted tensor product Hilbert spaces. The first weighted Hilbert space we consider is based on Walsh functions. Dick and Pillichshammer calculated the worst-case error for integration using digital nets for this space. Here we extend this result to a special construction method for digital nets based on polynomials over finite fields. This result allows us to find polynomials which yield a small worst-case error by computer search. We prove an upper bound on the worst-case error for digital nets obtained by such a search algorithm which shows that the convergence rate is best possible and that strong tractability holds under some condition on the weights.
We extend the results for the weighted Hilbert space based on Walsh functions to weighted Sobolev spaces. In this case we use randomly digitally shifted digital nets. The construction principle is the same as before, only the worst-case error is slightly different. Again digital nets obtained from our search algorithm yield a worst-case error achieving the optimal rate of convergence and as before strong tractability holds under some condition on the weights. These results show that such a construction of digital nets yields the until now best known results of this kind and that our construction methods are comparable to the construction methods known for lattice rules.
We conclude the article with numerical results comparing the expected worst-case error for randomly digitally shifted digital nets with those for randomly shifted lattice rules.
The knowledge of hydrocarbon/water phase equilibria is important in the design and operation of equipment for petroleum transport and refining and petrochemical plants. The presence of water in a hydrocarbon mixture can affect the product quality and damage the operation equipment due to corrosion and formation of gas hydrates. Tracing the concentration of hydrocarbons in aqueous media is also important for technical purposes like preventing oil spills and for ecological concerns such as predicting the fate of these organic pollutants in the environment. 相似文献
The ability of Soave–Redlich–Kwong cubic equation of state (SRK EoS) to predict densities and thermodynamic derivative properties such as thermal expansivity, isothermal compressibility, calorific capacity, and Joule–Thompson coefficients, for two gas condensates over a wide range of pressures (up to 110 MPa) was studied. The predictions of the EoS were compared to Monte Carlo simulation data obtained by Lagache et al. [M.H. Lagache, P. Ungerer, A. Boutin, Fluid Phase Equilibr. 220 (2004) 221]. Two completely different alpha functions for the SRK EoS attractive term were used and their respective effects on the predictions of such properties were analyzed. Also, two different forms of the crossed terms of the attractive parameter, aij, and three expressions of the crossed terms of the repulsive parameter, bij, were combined in different ways, and predictions were carried out. Little sensitivity of the properties on the chosen alpha function, except for the calorific capacities, was found in the systems studied. The most commonly used combination rules to model phase behavior of reservoir fluids, i.e. geometric and arithmetic forms of aij and bij, respectively, predicted very deficient results for these fluids at extreme conditions, specially for density calculations. 相似文献
Extensible lattice sequences have been proposed and studied in [F.J. Hickernell, H.S. Hong, Computing multivariate normal probabilities using rank-1 lattice sequences, in: G.H. Golub, S.H. Lui, F.T. Luk, R.J. Plemmons (Eds.), Proceedings of the Workshop on Scientific Computing (Hong Kong), Singapore, Springer, Berlin, 1997, pp. 209–215; F.J. Hickernell, H.S. Hong, P. L’Ecuyer, C. Lemieux, Extensible lattice sequences for quasi-Monte Carlo quadrature, SIAM J. Sci. Comput. 22 (2001) 1117–1138; F.J. Hickernell, H.Niederreiter, The existence of good extensible rank-1 lattices, J. Complexity 19 (2003) 286–300]. For the special case of extensible Korobov sequences, parameters can be found in [F.J. Hickernell, H.S. Hong, P. L’Ecuyer, C.Lemieux, Extensible lattice sequences for quasi-Monte Carlo quadrature, SIAM J. Sci. Comput. 22 (2001) 1117–1138]. The searches made to obtain these parameters were based on quality measures that look at several projections of the lattice. Because it is often the case in practice that low-dimensional projections are very important, it is of interest to find parameters for these sequences based on measures that look more closely at these projections. In this paper, we prove the existence of “good” extensible Korobov rules with respect to a quality measure that considers two-dimensional projections. We also report results of experiments made on different problems where the newly obtained parameters compare favorably with those given in [F.J. Hickernell, H.S. Hong, P. L’Ecuyer, C. Lemieux, Extensible lattice sequences for quasi-Monte Carlo quadrature, SIAM J. Sci. Comput. 22 (2001) 1117–1138]. 相似文献