Cluster state computation with quantum-dot charge qubits.
Combined analysis of two- and three-particle correlations in -Bose gas model.
Complete positivity and the neutral kaon system
New experiments on neutral K-mesons might turn out to be promising tests of the hypothesis of Complete Positivity in the physics of open quantum systems. In particular, a consistent dynamical description of correlated neutral kaons seems to ask for Complete Positivity.
Complétude asymptotique pour un modèle du transfert de charge
Complex scaling technique in non-relativistic massive QED
Computer simulation of the atomic behaviour in condensed phases.
Computer simulation of the atomic behaviour in condensed phases.
Molecular dynamics simulation method for the study of condensed phases of matter is described in this paper. Computer programs for the simulation of atomic motion have been developed. Time-saving techniques, like the cellular method have been incorporated in order to optimize the available computer resources. We have applied this method to the simulation of Argon near its melting point. Differences in the structure, thermodynamic properties and time correlation functions of solid and liquid phases...
Contact transformations in Wheeler-Feynman electrodynamics
Convergence of gradient-based algorithms for the Hartree-Fock equations
The numerical solution of the Hartree-Fock equations is a central problem in quantum chemistry for which numerous algorithms exist. Attempts to justify these algorithms mathematically have been made, notably in [E. Cancès and C. Le Bris, Math. Mod. Numer. Anal. 34 (2000) 749–774], but, to our knowledge, no complete convergence proof has been published, except for the large-Z result of [M. Griesemer and F. Hantsch, Arch. Rational Mech. Anal. (2011) 170]. In this paper, we prove the convergence of...
Convergence of gradient-based algorithms for the Hartree-Fock equations
The numerical solution of the Hartree-Fock equations is a central problem in quantum chemistry for which numerous algorithms exist. Attempts to justify these algorithms mathematically have been made, notably in [E. Cancès and C. Le Bris, Math. Mod. Numer. Anal. 34 (2000) 749–774], but, to our knowledge, no complete convergence proof has been published, except for the large-Z result of [M. Griesemer and F. Hantsch, Arch. Rational Mech. Anal. (2011) 170]. In this paper, we prove the convergence of...
Convergence of gradient-based algorithms for the Hartree-Fock equations∗
The numerical solution of the Hartree-Fock equations is a central problem in quantum chemistry for which numerous algorithms exist. Attempts to justify these algorithms mathematically have been made, notably in [E. Cancès and C. Le Bris, Math. Mod. Numer. Anal. 34 (2000) 749–774], but, to our knowledge, no complete convergence proof has been published, except for the large-Z result of [M. Griesemer and F. Hantsch, Arch. Rational Mech. Anal. (2011) ...
Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges
This paper reviews popular acceleration techniques to converge the non-linear self-consistent field equations appearing in quantum chemistry calculations with localized basis sets. The different methodologies, as well as their advantages and limitations are discussed within the same framework. Several illustrative examples of calculations are presented. This paper attempts to describe recent achievements and remaining challenges in this field.
Covariant functional quantizations of superstrings
Diffusion Monte Carlo method: Numerical Analysis in a Simple Case
The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a fixed number of random walkers evolving according to a stochastic differential equation discretized in time. We allow stochastic reconfigurations of the walkers to reduce the discrepancy between the weights that they carry. On a simple one-dimensional example, we prove...
Discrete approaches to quantum gravity in four dimensions.
Discrete breathers in anharmonic models with acoustic phonons
Discrete vector models for catalysis and autocatalysis.
Distortion analyticity and molecular resonance curves
Dynamics of entanglement between a quantum dot spin qubit and a photon qubit inside a semiconductor high-Q nanocavity.
Effective bosonic degrees of freedom for one-flavour chromodynamics