Mathematical models and methods for ab initio quantum chemistry
Collections of articles of miscellaneous specific interest (00B15) Proceedings, conferences, collections, etc. pertaining to quantum theory (81-06) Proceedings, conferences, collections, etc. pertaining to statistical mechanics (82-06) Proceedings, conferences, collections, etc. pertaining to relativity and gravitational theory (83-06)
The articles of this volume will be reviewed individually. Indexed articles: \textit{Sutcliffe, Brian}, Is a molecule in chemistry explicable as a broken symmetry in quantum mechanics?, 3-15 [Zbl 0992.81102] \textit{Cancès, Eric}, SCF algorithms for HF electronic calculations, 17-43 [Zbl 0992.81103] \textit{Caffarel, Michel; Assaraf, Roland}, A pedagogical introduction to quantum Monte-Carlo, 45-73 [Zbl 0992.81002] \textit{Turinci, Gabriel}, On the controllability of bilinear quantum systems, 75-92 [Zbl 1007.81019] \textit{Catto, I.; Le Bris, C.; Lions, P.-L.}, Recent mathematical results on the quantum modeling of crystals, 95-119 [Zbl 0998.82036] \textit{Bokanowski, O.; Grébert, B.; Mauser, N. J.}, Local density approximations for the energy of a periodic Coulomb model, 121-131 [Zbl 1001.82033] \textit{Blanc, X.}, A mathematical insight into ab initio simulations of the solid phase, 133-158 [Zbl 0991.82001] \textit{Dolbeault, Jean; Esteban, Maria J.; Séré, Eric}, Variational methods in relativistic quantum mechanics: New approach to the computation of Dirac eigenvalues, 211-226 [Zbl 1015.81016] \textit{Saue, T.; Jensen, H. J. Aa.}, Quaternion symmetry of the Dirac equation, 227-246 [Zbl 0990.81025]
- Controllability of the discrete-spectrum Schrödinger equation driven by an external field
- Spectral controllability for 2D and 3D linear Schrödinger equations
- Mathematical and numerical aspects of quantum chemistry problems. Abstracts from the workshop held October 22--28, 2006.
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- Mathematical and computational tools in theoretical chemistry
- Local exact controllability of the 2D-Schrödinger-Poisson system
- Controllability of a 2D quantum particle in a time-varying disc with radial data
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
- Building Kohn-Sham potentials for ground and excited states
- Hartree-Fock type systems: existence of ground states and asymptotic behavior
- Regular propagators of bilinear quantum systems
- Mathematical methods in quantum chemistry. An introduction
- Wavelets for density matrix computation in electronic structure calculation
- Local controllability of a 1-D Schrödinger equation
- Model Hamiltonians and first principles electronic structure calculations.
- Local exact controllability of a one-dimensional nonlinear Schrödinger equation
- scientific article; zbMATH DE number 6803234 (Why is no real title available?)
- Local exact controllability of Schrödinger equation with Sturm-Liouville boundary value problems
- A topological obstruction to the controllability of nonlinear wave equations with bilinear control term
- Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges
- From atoms to crystals: a mathematical journey
- Local controllability of 1D linear and nonlinear Schrödinger equations with bilinear control
- Quantum controllability on graph-like manifolds through magnetic potentials and boundary conditions
- Local controllability and non-controllability for a 1D wave equation with bilinear control
- On a sharper bound on the stability of non-autonomous Schrödinger equations and applications to quantum control
- Universal families and quantum control in infinite dimensions
- Fully discretized Sobolev gradient flow for the Gross-Pitaevskii eigenvalue problem
- A numerical Maxwell-Schrödinger model for intense laser-matter interaction and propagation
- Controllability of a quantum particle in a moving potential well
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