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The mixed regularity of electronic wave functions multiplied by explicit correlation factors

Harry Yserentant (2011)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

The electronic Schrödinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3N variables, three spatial dimensions for each electron. Approximating them is thus inordinately challenging. As is shown in the author's monograph [Yserentant, Lecture Notes in Mathematics 2000, Springer (2010)], the regularity of the solutions, which increases with the number of electrons,...

The mixed regularity of electronic wave functions multiplied by explicit correlation factors***

Harry Yserentant (2011)

ESAIM: Mathematical Modelling and Numerical Analysis

The electronic Schrödinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3N variables, three spatial dimensions for each electron. Approximating them is thus inordinately challenging. As is shown in the author's monograph [Yserentant, Lecture Notes in Mathematics2000, Springer (2010)], the regularity of the solutions, which increases with the number of electrons,...

The quantum 3D superparticle.

Mezincescu, Luca, Townsend, Paul K. (2011)

SIGMA. Symmetry, Integrability and Geometry: Methods and Applications [electronic only]

The smooth continuation method in optimal control with an application to quantum systems

Bernard Bonnard, Nataliya Shcherbakova, Dominique Sugny (2011)

ESAIM: Control, Optimisation and Calculus of Variations

The motivation of this article is double. First of all we provide a geometrical framework to the application of the smooth continuation method in optimal control, where the concept of conjugate points is related to the convergence of the method. In particular, it can be applied to the analysis of the global optimality properties of the geodesic flows of a family of Riemannian metrics. Secondly, this study is used to complete the analysis of two-level dissipative quantum systems, where the system...

The smooth continuation method in optimal control with an application to quantum systems

Bernard Bonnard, Nataliya Shcherbakova, Dominique Sugny (2011)

ESAIM: Control, Optimisation and Calculus of Variations

The motivation of this article is double. First of all we provide a geometrical framework to the application of the smooth continuation method in optimal control, where the concept of conjugate points is related to the convergence of the method. In particular, it can be applied to the analysis of the global optimality properties of the geodesic flows of a family of Riemannian metrics. Secondly, this study is used to complete the analysis of two-level dissipative quantum systems, where the system...

The spin of the ground state of an atom.

Charles L. Fefferman, Luis A. Seco (1996)

Revista Matemática Iberoamericana

In this paper we address a question posed by M. and T. Hoffmann-Ostenhof, which concerns the total spin of the ground state of an atom or molecule. Each electron is given a value for spin, ±1/2. The total spin is the sum of the individual spins.

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