English
Related papers

Related papers: Fully general time-dependent multiconfiguration se…

200 papers

We report successful implementation of the time-dependent second-order many-body perturbation theory using optimized orthonormal orbital functions called time-dependent optimized second-order many-body perturbation theory [TD-OMP2] to reach…

Chemical Physics · Physics 2020-08-26 Himadri Pathak , Takeshi Sato , Kenichi L. Ishikawa

Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled- cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived…

Chemical Physics · Physics 2018-03-14 Takeshi Sato , Himadri Pathak , Yuki Orimo , Kenichi L. Ishikawa

Within a Lagrangian formalism we derive the time-dependent Gutzwiller approximation for general multi-band Hubbard models. Our approach explicitly incorporates the coupling between time-dependent variational parameters and a time-dependent…

Strongly Correlated Electrons · Physics 2015-06-15 J. Bünemann , M. Capone , J. Lorenzana , G. Seibold

Although self-consistent multi-configuration methods have been used for decades to address the description of atomic and molecular many-body systems, only a few trials have been made in the context of nuclear structure. This work aims at…

Nuclear Theory · Physics 2016-02-02 C. Robin , N. Pillet , D. Peña Arteaga , J. -F. Berger

We present the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method to simulate multielectron dynamics in ultrafast intense laser fields from the first principles. While based on multiconfiguration expansion, it…

Atomic Physics · Physics 2018-04-24 Takeshi Sato , Yuki Orimo , Takuma Teramura , Oyunbileg Tugs , Kenichi L. Ishikawa

We present a wave-function based method to solve the time-dependent many-electron Schr\"odinger equation (TDSE) with special emphasis on strong-field ionization phenomena. The theory builds on the configuration-interaction (CI) approach…

Quantum Physics · Physics 2014-12-11 Sebastian Bauch , Lasse Kragh Sørensen , Lars Bojer Madsen

We present a new paradigm for the dynamical simulation of interacting many-boson open quantum systems. The method relies on a variational ansatz for the $n$-boson density matrix, in terms of a superposition of photon-added coherent states.…

Quantum Physics · Physics 2023-06-27 David S. Schlegel , Fabrizio Minganti , Vincenzo Savona

Static and dynamical aspects of nuclear systems are described through an extended time-dependent mean-field approach. The foundations of the formalism are presented, with highlights on the estimation of average values and their…

Nuclear Theory · Physics 2020-06-02 G. Besse , V. de la Mota , E. Bonnet , P. Eudes , P. Napolitani , Z. Basrak

In this Colloquium, the wavefunction-based Multiconfigurational Time-Dependent Hartree approaches to the dynamics of indistinguishable particles (MCTDH-F for Fermions and MCTDH-B for Bosons) are reviewed. MCTDH-B and MCTDH-F or, together,…

Interacting electrons in a semiconductor quantum dot at strong magnetic fields exhibit a rich set of states, including correlated quantum fluids and crystallites of various symmetries. We develop in this paper a perturbative scheme based on…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Gun Sang Jeon , Chia-Chen Chang , Jainendra K. Jain

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet…

Chemical Physics · Physics 2017-04-27 Gunter Hermann , Vincent Pohl , Jean Christophe Tremblay

A quantum-field approach for describing many-particle Fermi systems at finite temperatures and with spontaneously broken symmetry has been proposed. A generalized model of self-consistent field (SCF), which allows one to describe the states…

Statistical Mechanics · Physics 2013-03-21 Yu. M. Poluektov

We propose a new model for description of electrons beam dynamics in Free Electron Laser (FEL) undulator, based on the method of linear time-dependent invariants of quantum-mechanical charge particle. The magnetic field has periodic…

Quantum Physics · Physics 2008-05-26 A. Angelow , D. Trifonov , V. Angelov , H. Hristov

The mean-field approach to two-site Bose-Hubbard systems is well established and leads to nonlinear classical equations of motion for the population imbalance and the phase difference. It can, e.g., be based on the representation of the…

Quantum Physics · Physics 2023-09-01 Yulong Qiao , Frank Grossmann

The aim of this review is twofold. First, a general approach is presented allowing for a unified description of dynamics in radiating systems of different nature. Both atomic systems as well as spin assemblies can be treated in the frame of…

Atomic Physics · Physics 2015-06-22 V. I. Yukalov

We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…

Chemical Physics · Physics 2023-03-30 Matej Ditte , Matteo Barborini , Leonardo Medrano Sandonas , Alexandre Tkatchenko

We develop a general framework to calculate the many-body density of states (DOS) of isolated and interacting quantum systems. Based on the generalized coherent state formalism and the Simon-Lieb bounds for a quantum partition function, our…

Strongly Correlated Electrons · Physics 2026-04-17 Deniz Coskun , R. Chitra

We develop a resonance theory to describe the evolution of open systems with time-dependent dynamics. Our approach is based on piecewise constant Hamiltonians: we represent the evolution on each constant bit using a recently developed…

Mathematical Physics · Physics 2011-08-25 Marco Merkli , Shannon Starr

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…

Computational Physics · Physics 2015-05-27 Daniel J. Haxton , Keith V. Lawler , C. William McCurdy

A time dependent variational principle is used to dequantize a second order quadrupole boson Hamiltonian. The classical equations for the generalized coordinate and the constraint for angular momentum are quantized and then analytically…

Nuclear Theory · Physics 2015-03-14 A. A. Raduta , R. Budaca , Amand Faessler