The coupled-cluster formalism – a mathematical perspective

ABSTRACT

The 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.     

Liouville theorem for weighted p-Lichnerowicz equation on smooth metric measure space

In this paper, let $(M^n,g,d\mu )$ be n-dimensional noncompact metric measure space which satisfies Poincaré inequality with some Ricci curvature condition. We obtain a Liouville theorem for positive weak solutions to weighted p-Lichnerowicz equation

${△}_{p,f}v+c{v}^{\sigma }=0,$

where $c\le 0,m>n\ge 1,1<p<\frac{m?1+\sqrt{(m?1)(m+3)}}{2},\sigma \le p?1$ are real constants.     

Stable multi-sets

In this paper we introduce a generalization of stable sets: stable multi-sets. A stable multi-set is an assignment of integers to the vertices of a graph, such that specified bounds on vertices and edges are not exceeded. In case all vertex and edge bounds equal one, stable multi-sets are equivalent to stable sets.  For the stable multi-set problem, we derive reduction rules and study the associated polytope. We state necessary and sufficient conditions for the extreme points of the linear relaxation to be integer. These conditions generalize the conditions for the stable set polytope. Moreover, the classes of odd cycle and clique inequalities for stable sets are generalized to stable multi-sets and conditions for them to be facet defining are determined.  The study of stable multi-sets is initiated by optimization problems in the field of telecommunication networks. Stable multi-sets emerge as an important substructure in the design of optical networks. Received: February 14, 2001/Revised version: September 7, 2001     

On a result of Ozawa concerning uniqueness of meromorphic functions

In this paper we prove a uniqueness theorem for meromorphic functions sharing three values with some weight which improves some known results.     

Equilibrium Problems with Applications to Eigenvalue Problems

In this paper, we consider equilibrium problems and introduce the concept of (S)₊ condition for bifunctions. Existence results for equilibrium problems with the (S)₊ condition are derived. As special cases, we obtain several existence results for the generalized nonlinear variational inequality studied by Ding and Tarafdar (Ref. 1) and the generalized variational inequality studied by Cubiotti and Yao (Ref. 2). Finally, applications to a class of eigenvalue problems are given.     

Convergence analysis of a modified inexact implicit method for general mixed monotone variational inequalities

We consider a useful modification of the inexact implicit method with a variable parameter in Wang et al. J Optim Theory 111: 431–443 (2001) for generalized mixed monotone variational inequalities. One of the contributions of the proposed method in this paper is that the restrictions imposed on the variable parameter are weaker than the ones in Wang et al. J Optim Theory 111: 431–443 (2001). Another contribution is that we establish a sufficient and necessary condition for the convergence of the proposed method to a solution of the general mixed monotone variational inequality.     

矩阵方程AXB=D的最小二乘Hermite解及其加权最佳逼近

本中,我们讨论了矩阵方程AXB=D的最小二乘Hermite解,通过运用广义奇异值分解(GSVD)，获得了解的通式。此外,对于给定矩阵F，也得到了它的加权最佳逼近表达式。     

Enclosure results for quasilinear systems of variational inequalities

In this paper we consider systems of quasilinear elliptic variational inequalities, and prove the existence of minimal and maximal (in the set theoretical sense) solutions within some ordered interval of an appropriately defined pair of sub- and supersolutions. We show that the notion of sub- and supersolutions of variational inequalities introduced here is consistent with the usual notion of sub-supersolutions for (variational) equations. For weakly coupled quasimonotone systems of variational inequalities the existence of smallest and greatest solutions is proved.     

A priori estimates and existence of positive solutions for strongly nonlinear problems

In this paper we study the existence of positive solutions for a nonlinear Dirichlet problem involving the m-Laplacian. The nonlinearity considered depends on the first derivatives; in such case, variational methods cannot be applied. So, we make use of topological methods to prove the existence of solutions. We combine a blow-up argument and a Liouville-type theorem to obtain a priori estimates. Some Harnack-type inequalities which are needed in our reasonings are also proved.