L2 ANALYSIS OF THE MULTI-CONFIGURATION TIME-DEPENDENT HARTREE–FOCK EQUATIONS
نویسندگان
چکیده
منابع مشابه
Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations
In this paper we motivate, formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems under Coulomb interaction. They consist in approximating the Nparticle Schrödinger wavefunction by a (time-dependent) linear combination of (time-dependent) Slater determinants. The equations of motion express as a system of ordinary differential equation...
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The multiconfiguration methods are widely used by quantum physicists and chemists for numerical approximation of the many electron Schrödinger equation. Recently, first mathematically rigorous results were obtained on the time-dependent models, e.g. short-in-time well-posedness in the Sobolev space H for bounded interactions [20] with initial data in H, in the energy space for Coulomb interacti...
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We discuss the numerical approximation of the solution to the multi-configuration time-dependent Hartree-Fock (MCTDHF) equations in quantum dynamics. The MCTDHF method approximates the high-dimensional wave function of the time-dependent electronic Schrödinger equation by an antisymmetric linear combination of products of functions depending only on three-dimensional spatial coordinates. The eq...
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Abstract: We discuss the numerical approximation of the solution to the multiconfiguration time-dependent Hartree-Fock (MCTDHF) equations in quantum dynamics. The associated equations of motion, obtained via the Dirac–Frenkel time-dependent variational principle, consist of a coupled system of low-dimensional nonlinear partial differential equations and ordinary differential equations. We exten...
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ژورنال
عنوان ژورنال: Mathematical Models and Methods in Applied Sciences
سال: 2010
ISSN: 0218-2025,1793-6314
DOI: 10.1142/s0218202510004842