activity
20172026
most citedNumerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer

59 citations · 175 across the 15 of their papers we have counts for

collaborators

17 papers

cs.AI2026

Vulnerability Analysis for Safe Multi-Agent Reinforcement Learning

Taozheng Zhu, Shixiong Jiang, Fanxin Kong

Safe Multi-Agent Reinforcement Learning (SMARL) aims to learn cooperative control policies under prescribed safety constraints. Al- though existing SMARL methods focus on enforcing…

math-ph2026

Equality of the Jellium and the Uniform Electron Gas Energies

Mihály A. Csirik

Jellium, a system of electrons in a uniform neutralizing background, and the uniform electron gas (UEG), a system of electrons with constant density and no background, are two stan…

math-ph2026

The non-uniform electron gas

Mihaly A. Csirik, Andre Laestadius

The non-uniform (or inhomogeneous) electron gas has received much attention in many-body quantum mechanics and quantum chemistry in the early days of density functional theory, mai…

physics.chem-ph2025

Neural network approximation of regularized density functionals

Mihály A. Csirik, Andre Laestadius, Mathias Oster

Density functional theory is one of the most efficient and widely used computational methods of quantum mechanics, especially in fields such as solid state physics and quantum chem…

math-ph2024★ 4 cited

Density-functional theory for the Dicke Hamiltonian

Vebjørn H. Bakkestuen, Mihály A. Csirik, Andre Laestadius +1

A detailed analysis of density-functional theory for quantum-electrodynamical model systems is provided. In particular, the quantum Rabi model, the Dicke model, and a generalizatio…

math-ph2024

Thermodynamic limit for the magnetic uniform electron gas and representability of density-current pairs

Mihály A. Csirik, Andre Laestadius, Erik I. Tellgren

Although the concept of the uniform electron gas is essential to quantum physics, it has only been defined recently in a rigorous manner by Lewin, Lieb and Seiringer. We extend the…

physics.chem-ph2023★ 4 cited

Exchange-only virial relation from the adiabatic connection

Andre Laestadius, Mihály A. Csirik, Markus Penz +4

The exchange-only virial relation due to Levy and Perdew is revisited. Invoking the adiabatic connection, we introduce the exchange energy in terms of the right-derivative of the u…

math.NA2023★ 13 cited

Coupled-Cluster Theory Revisited. Part II: Analysis of the single-reference Coupled-Cluster equations

Mihály A. Csirik, Andre Laestadius

In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. In this second part, we analyze the nonlinear equations of the sing…

physics.chem-ph2023★ 17 cited

The structure of the density-potential mapping. Part II: Including magnetic fields

Markus Penz, Erik I. Tellgren, Mihály A. Csirik +2

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by…

physics.chem-ph2023★ 8 cited

The -diagnostic -- an a posteriori error assessment for single-reference coupled-cluster methods

Fabian M. Faulstich, Håkon E. Kristiansen, Mihaly A. Csirik +3

We propose a novel a posteriori error assessment for the single-reference coupled-cluster (SRCC) method called the -diagnostic. We provide a derivation of the -diagnostic tha…

physics.chem-ph2022★ 12 cited

Density-potential inversion from Moreau-Yosida regularization

Markus Penz, Mihály A. Csirik, Andre Laestadius

For a quantum-mechanical many-electron system, given a density, the Zhao-Morrison-Parr method allows to compute the effective potential that yields precisely that density. In this…

physics.chem-ph2022★ 28 cited

The structure of the density-potential mapping. Part I: Standard density-functional theory

Markus Penz, Erik I. Tellgren, Mihály A. Csirik +2

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by…

physics.chem-ph2022★ 12 cited

Exchange energies with forces in density-functional theory

Nicolas Tancogne-Dejean, Markus Penz, Andre Laestadius +3

We propose exchanging the energy functionals in ground-state DFT with physically equivalent exact force expressions as a new promising route towards approximations to the exchange-…

math.NA2021

Coupled-Cluster Theory Revisited. Part I: Discretization

Mihály A. Csirik, Andre Laestadius

In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. These methods aim at accurately solving the many-body Schrodinger e…

quant-ph2020★ 10 cited

Range of applicability of the Hu-Paz-Zhang master equation

G. Homa, A. Csordás, M. A. Csirik +1

We investigate a case of the Hu-Paz-Zhang master equation of the Caldeira-Leggett model without Lindblad form obtained in the weak-coupling limit up to the second-order perturbatio…

physics.chem-ph2018★ 59 cited

Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer

Fabian M. Faulstich, Mihály Máté, Andre Laestadius +8

In this article, we investigate the numerical and theoretical aspects of the coupled-cluster method tailored by matrix-product states. We investigate chemical properties of the use…

quant-ph2017★ 8 cited

An entropy production based method for determining the position diffusion's coefficient of a quantum Brownian motion

J. Z. Bernád, G. Homa, M. A. Csirik

Quantum Brownian motion of a harmonic oscillator in the Markovian approximation is described by the respective Caldeira-Leggett master equation. This master equation can be brought…