Related papers: $L^2$ Analysis of the Multi-Configuration Time-Dep…
The Hartree-Fock-Bogoliubov approximation is very useful for treating both long- and short-range correlations in finite quantum fermion systems, but it must be extended in order to describe detailed spectroscopic properties. One problem is…
In part I of this project we examined low regularity local well-posedness for generic quasilinear Schr\"odinger equations with small data. This improved, in the small data regime, the preceding results of Kenig, Ponce, and Vega as well as…
We prove local in time well-posedness for a large class of quasilinear Hamiltonian, or parity preserving, Schr\"odinger equations on the circle. After a paralinearization of the equation, we perform several paradifferential changes of…
Time-dependent Hartree-Fock (TDHF) is one of the fundamental post-Hartree-Fock (HF) methods to describe excited states. In its Tamm-Dancoff form, equivalent to Configuration Interaction Singles, it is still widely used and particularly…
To solve the many-boson Schr\"odinger equation we utilize the Multiconfigurational time-dependent Hartree method for bosons (MCTDHB). To be able to attack larger systems and/or to propagate the solution for longer times, we implement a…
A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real…
The development of reliable ab initio methods for light-matter strong coupling is necessary for a deeper understanding of molecular polaritons. The recently developed strong coupling quantum electrodynamics Hartree-Fock model (SC-QED-HF)…
Quantum transport is studied for the nonequilibrium Anderson impurity model at zero temperature employing the multilayer multiconfiguration time-dependent Hartree theory within the second quantization representation (ML-MCTDH-SQR) of Fock…
A fundamental longstanding problem in studying spin models is the efficient and accurate numerical simulation of the long-time behavior of larger systems. The exponential growth of the Hilbert space and the entanglement accumulation at long…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
This paper is concerned with the well-posedness analysis of the Hartree-Fock system modeling the time evolution of a quantum system comprised of fermions. We consider quantum states with finite mass and finite kinetic energy, and the…
How does charge density constrain many-body wavefunctions in nature? The Hohenberg-Kohn theorem for non-relativistic, interacting many-body Schr\"odinger systems is well-known and was proved using \emph{reductio-ad-absurdum}; however, the…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
The multiconfigurational time-dependent Hartree method (MCTDH) [Chem. Phys. Lett. {\bf 165}, 73 (1990); J. Chem. Phys. {\bf 97}, 3199 (1992)] is celebrating nowadays entering its third decade of tackling numerically-exactly a broad range of…
Based on the fact that the Hamiltonians of the Coulomb many-particle systems are always factorized we develop the two different approaches for analytical solution of the Schr\"{o}dinger equation written for arbitrary few- and many-particle…
The local well-posedness problem for the Maxwell-Klein-Gordon system in Coulomb gauge as well as Lorenz gauge is treated in two space dimensions for data with minimal regularity assumptions. In the classical case of data in $L^2$-based…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
We prove global well-posedness for low regularity data for the $L^2-critical$ defocusing nonlinear Schr\"odinger equation (NLS) in 2d. More precisely we show that a global solution exists for initial data in the Sobolev space $H^{s}(\mathbb…