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We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…

Computational Physics · Physics 2025-10-20 Sayan Bhowmik , Andrew J. Medford , Phanish Suryanarayana

We consider a damped oscillator mode that is resonantly driven and is coupled to an arbitrary target system via the position quadrature operator. For such a composite open quantum system, we develop a numerical method to compute the reduced…

Quantum Physics · Physics 2024-07-02 Masaaki Tokieda

The time evolution of a Gaussian density matrix of a one dimensional particle, generated by a quadratic, ${\cal O}(\partial_t^2)$ effective Lagrangian, describing a harmonic potential, a friction force and decoherence, is studied within the…

Statistical Mechanics · Physics 2015-10-13 Janos Polonyi

In these notes I explain how to describe one-dimensional quantum systems that are simultaneously near to, but not exactly at, a critical point, and in a far-from-equilibrium steady state. This description uses a density matrix on scattering…

Statistical Mechanics · Physics 2012-12-06 Benjamin Doyon

A sequence of approximations for the determinant and its logarithm of a complex matrixis derived, along with relative error bounds. The determinant approximations are derived from expansions of det(X)=exp(trace(log(X))), and they apply to…

Numerical Analysis · Mathematics 2011-05-04 Ilse C. F. Ipsen , Dean J. Lee

The exact form of quantum propagator of a quantum oscillator interacting with a bosonic bath consisting of $N$ distinguished quantum oscillators with different frequencies is obtained in the Heisenberg picture. Reduced density matrix for…

Quantum Physics · Physics 2017-01-03 A. Refaei , F. Kheirandish

By using the properties of orthogonal polynomials, we present an exact unitary transformation that maps the Hamiltonian of a quantum system coupled linearly to a continuum of bosonic or fermionic modes to a Hamiltonian that describes a…

Quantum Physics · Physics 2010-10-04 Alex W. Chin , Ángel Rivas , Susana F. Huelga , Martin B. Plenio

We present a quantum electronic embedding method derived from the exact factorization approach to calculate static properties of a many-electron system. The method is exact in principle but the practical power lies in utilizing input from a…

Strongly Correlated Electrons · Physics 2020-05-27 Lionel Lacombe , Neepa T. Maitra

We investigate dissipation-driven topological phase transitions in one-dimensional quantum open systems governed by the Lindblad equation with linear dissipation operators, which ensure the density matrix retains its Gaussian form…

Quantum Physics · Physics 2026-01-27 Tian-Shu Deng , Fan Yang

Reduced basis methods are popular for approximately solving large and complex systems of differential equations. However, conventional reduced basis methods do not generally preserve conservation laws and symmetries of the full order model.…

Numerical Analysis · Mathematics 2018-03-20 Babak Maboudi Afkham , Jan S. Hesthaven

Control of quantum dissipative systems can be challenging because control variables are typically part of the system Hamiltonian, which can only generate motion along unitary orbits of the system. To transit between orbits, one must harness…

Quantum Physics · Physics 2012-01-04 Patrick Rooney , Anthony Bloch , Chitra Rangan

The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…

Strongly Correlated Electrons · Physics 2013-12-11 Peter E. Blöchl , Thomas Pruschke , Michael Potthoff

The dynamical equation satisfied by the density matrix, when a quantum system is subjected to one or more constraints arising from conserved quantities, is derived. The resulting nonlinear motion of the density matrix has the property that…

Quantum Physics · Physics 2015-02-23 Dorje C. Brody , Anna C. T. Gustavsson , Lane P. Hughston

Accurate modeling of driven light-matter interactions is essential for quantum technologies, where natural and synthetic atoms are used to store and process quantum information, mediate interactions between bosonic modes, and enable…

Quantum Physics · Physics 2025-09-04 Martin Jirlow , Kunal Helambe , Axel M. Eriksson , Simone Gasparinetti , Tahereh Abad

We develop a system-theoretic framework for the structured analysis of distributed optimization algorithms with decomposable cost functions. We model such algorithms as a network of interacting dynamical systems and derive tests for…

Optimization and Control · Mathematics 2026-04-14 Aron Karakai , Jaap Eising , Andrea Martinelli , Florian Dörfler

A density functional theory for many-body lattice models is considered in which the single-particle density matrix is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy…

Strongly Correlated Electrons · Physics 2009-10-31 R. Lopez-Sandoval , G. M. Pastor

In these lectures notes, we review our recent works addressing various problems of finding the nearest stable system to an unstable one. After the introduction, we provide some preliminary background, namely, defining Port-Hamiltonian…

Optimization and Control · Mathematics 2022-02-08 Nicolas Gillis , Punit Sharma

We determine the exact time-dependent non-idempotent one-particle reduced density matrix and its spectral decomposition for a harmonically confined two-particle correlated one-dimensional system when the interaction terms in the…

Statistical Mechanics · Physics 2017-02-01 I. Nagy , J. Pipek , M. L. Glasser

An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Y. Wang , C. -Y. Yam , G. H. Chen , Th. Frauenheim , T. A. Niehaus

We introduce some general tools to design exact splitting methods to compute numerically semigroups generated by inhomogeneous quadratic differential operators. More precisely, we factorize these semigroups as products of semigroups that…

Analysis of PDEs · Mathematics 2020-11-30 Joackim Bernier