相关论文: Determination of a Wave Function Functional
We derive the expressions for configurational forces in Kohn-Sham density functional theory, which correspond to the generalized variational force computed as the derivative of the Kohn-Sham energy functional with respect to the position of…
We consider an extension of the kinetic equation developed by Newell & Zakharov (A.C. Newell and V.E. Zakharov. The role of the generalized Phillips' spectrum in wave turbulence. Phys.Lett.A, 372:4230-4233, 2008). The new equation takes…
In classical continuum physics, a wave is a mechanical disturbance. Whether the disturbance is stationary or traveling and whether it is caused by the motion of atoms and molecules or the vibration of a lattice structure, a wave can be…
The Frisch-Parisi multifractal formalism remains the most compelling rationalisation for anomalous scaling in fully developed turbulence. We now show that this formalism can be adapted locally to reveal the spatial distribution of…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
Single-particle resonances in the continuum are crucial for studies of exotic nuclei. In this study, the Green's function approach is employed to search for single-particle resonances based on the relativistic-mean-field model. Taking…
An efficient algorithm to simulate dynamics of open quantum system is presented. The method describes the dynamics by unraveling stochastic wave functions converging to a density operator description. The stochastic techniques are based on…
We derive, by means of variational techniques, a limiting description for a class of integral functionals under linear differential constraints. The functionals are designed to encode the energy of a high-contrast composite, that is, a…
By solving the two variable differential equations which arise from finding the eigenfunctions for the Casimir operator for $O(d,2)$ succinct expressions are found for the functions, conformal partial waves, representing the contribution of…
Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a…
The approximate radial wave functions for the Cornell potential describing quark-antiquark interaction are constructed in the framework of a variational method. The optimal values of the variational parameters are fixed by the fulfillment…
The concept of the macroscopic wave function is a key for understanding macroscopic quantum phenomena. The existence of this object reflects a certain order, as is present in a Bose-Einstein condensate when a single-particle orbital is…
We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multiconfiguration trial wavefunction. By applying the rigorous Kohn-Sham method to this case, we construct the proper interacting and…
A new approach to the geometrization of the electron theory is proposed. The particle wave function is represented by a geometric entity, i.e., Clifford number, with the translation rules possessing the structure of Dirac equation for any…
We investigate the use of different variational principles in quantum Monte Carlo, namely energy and variance minimization, prompted by the interest in the robust and accurate estimate of electronic excited states. For two prototypical,…
The assumption that wave function collapse is induced by correlating interactions of the kind that constitute measurements leads to a stochastic collapse equation that does not require the introduction of any new physical constants and that…
This paper develops the so-called Weighted Energy-Dissipation (WED) variational approach for the analysis of gradient flows in metric spaces. This focuses on the minimization of the parameter-dependent global-in-time functional of…
Multiparametric statistical model providing stable reconstruction of parameters by observations is considered. The only general method of this kind is the root model based on the representation of the probability density as a squared…
A quantum Monte Carlo method of determining Jastrow-Slater wave functions for which the energy is stationary with respect to variations in the single-particle orbitals is presented. A potential is determined by a least-squares fitting of…
With accumulation of high statistics data at BES and CLEO-c, many new interesting channels can get enough statistics for partial wave analysis (PWA). Among them, $\psi \to \gamma p\bar p, \gamma\Lambda\bar \Lambda, \gamma\Sigma \bar\Sigma,…