Search results for "Lagrange multiplier"
showing 10 items of 37 documents
Perturbative triples corrections in state-specific multireference coupled cluster theory
2010
We formulated and implemented a perturbative triples correction for the state-specific multireference coupled cluster approach with singles and doubles suggested by Mukherjee and co-workers, Mk-MRCCSD [Mol. Phys. 94, 157 (1998)]. Our derivation of the energy correction [Mk-MRCCSD(T)] is based on a constrained search for stationary points of the Mk-MRCC energy functional together with a perturbative expansion with respect to the appearing triples cluster operator. The Lambda-Mk-MRCCSD(T) approach derived in this way consists in (1) a correction to the off-diagonal matrix elements of the effective Hamiltonian which is unique to coupled cluster methods based on the Jeziorski-Monkhorst ansatz, …
Nonlinear nonviscous hydrodynamical models for charge transport in the framework of extended thermodynamic methods
2002
This paper develops a procedure, based on methods of extended thermodynamics, to design nonlinear hydrodynamical models for charge transport in metals or in semiconductors, neglecting viscous phenomena. Models obtained in this way allow the study of the motion of electric charges in the presence of arbitrary external electric fields and may be useful when one wishes to study phenomena in a neighborhood of a stationary nonequilibrium process: indeed, the drift velocity of the charge gas with respect to the crystal lattice is not regarded as a small parameter.
Coordinate-free quantization of first-class constrained systems
1996
The coordinate-free formulation of canonical quantization, achieved by a flat-space Brownian motion regularization of phase-space path integrals, is extended to a special class of closed first-class constrained systems that is broad enough to include Yang-Mills type theories with an arbitrary compact gauge group. Central to this extension are the use of coherent state path integrals and of Lagrange multiplier integrations that engender projection operators onto the subspace of gauge invariant states.
Kerman-Onishi conditions in self-consistent tilted-axis-cranking mean-field calculations
2013
\item[Background] For cranked mean-field calculations with arbitrarily oriented rotational frequency vector $\boldsymbol{\omega}$ in the intrinsic frame, one has to employ constraints on average values of the quadrupole-moment tensor, so as to keep the nucleus in the principal-axis reference frame. Kerman and Onishi [Nucl. Phys. A {\bf 361}, 179 (1981)] have shown that the Lagrangian multipliers that correspond to the required constraints are proportional to $\boldsymbol{\omega} \times \boldsymbol{J}$, where $\boldsymbol{J}$ is the average angular momentum vector. \item[Purpose] We study the validity and consequences of the Kerman-Onishi conditions in the context of self-consistent tilted-a…
Energy-density-functional calculations including the proton-neutron mixing
2013
We present results of calculations based on the Skyrme energy density functional including the arbitrary mixing between protons and neutrons. In this framework, single-particle states are superpositions of proton and neutron components and the energy density functional is fully invariant with respect to three-dimensional rotations in the isospin space. The isospin of the system is controlled by means of the isocranking method, which carries over the standard cranking approach to the isospin space. We show numerical results of the isocranking calculations performed for isobaric analogue states in the A=14 and $A=40-56$ nuclei. We also present such results obtained for high-isospin states in …
Existence and orbital stability of standing waves to nonlinear Schr��dinger system with partial confinement
2018
We are concerned with the existence of solutions to the following nonlinear Schr\"odinger system in $\mathbb{R}^3$: \begin{equation*} \left\{ \begin{aligned} -\Delta u_1 + (x_1^2+x_2^2)u_1&= \lambda_1 u_1 + \mu_1 |u_1|^{p_1 -2}u_1 + \beta r_1|u_1|^{r_1-2}u_1|u_2|^{r_2}, \\ -\Delta u_2 + (x_1^2+x_2^2)u_2&= \lambda_2 u_2 + \mu_2 |u_2|^{p_2 -2}u_2 +\beta r_2 |u_1|^{r_1}|u_2|^{r_2 -2}u_2, \end{aligned} \right. \end{equation*} under the constraint \begin{align*} \int_{\mathbb{R}^3}|u_1|^2 \, dx = a_1>0,\quad \int_{\mathbb{R}^3}|u_2|^2 \, dx = a_2>0, \end{align*} where $\mu_1, \mu_2, \beta >0, 2 1, r_1 + r_2 < \frac{10}{3}$. In the system, the parameters $\lambda_1, \lambda_2 \in \R$ are unknown …
A thermodynamical model of inhomogeneous superfluid turbulence
2007
In this paper we perform a thermodynamical derivation of a nonlinear hydrodynamical model of inhomogeneous superfluid turbulence. The theory chooses as fundamental fields the density, the velocity, the energy density, the heat flux and the averaged vortex line length per unit volume. The restrictions on the constitutive quantities are derived from the entropy principle, using the Liu method of Lagrange multipliers. The mathematical and physical consequences deduced by the theory are analyzed both in the linear and in the nonlinear regime. Field equations are written and the wave propagation is studied with the aim to describe the mutual interactions between the second sound and the vortex t…
A Lagrange Multiplier Based Domain Decomposition Method for the Solution of a Wave Problem with Discontinuous Coefficients
2008
In this paper we consider the numerical solution of a linear wave equation with discontinuous coefficients. We divide the computational domain into two subdomains and use explicit time difference scheme along with piecewise linear finite element approximations on semimatching grids. We apply boundary supported Lagrange multiplier method to match the solution on the interface between subdomains. The resulting system of linear equations of the “saddle-point” type is solved efficiently by a conjugate gradient method.
Applications and numerical convergence of the partial inverse method
2006
In 1983, J.E. Spingarn introduced what he called the Partial Inverse Method in the framework of Mathematical Programming. Since his initial articles, numerous applications have been given in various fields including Lagrangian multipliers methods, location theory, convex feasibility problems, analysis of data, economic equilibrium problems. In a first part of this paper we give a survey of these applications. Then by means of optimization problems relevant to location theory such as single and multifacility minimisum or minimax location problems, we examine the main advantages of the algorithm and we point out its drawbacks mainly concerning the rate of convergence. We study how different p…
A penalty-based interface technology
2009
Modern computers have enabled engineers to perform large scale analyses of complex structures like entire aircrafts, automobiles, and ships. One issue that arises often is the need to perform a unified analysis of a structural assembly using sub-structural models created independently. These sub-structural models are frequently designed by different engineers, thus they are likely to be incompatible at their interfaces. Finite element interface technology has been developed to facilitate the joining of independently modeled substructures. Here an effective and robust interface element is presented. This method has been developed using penalty constraints and allows computationally efficient…