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In this study, we address the challenge of controlling quantum systems under environmental influences using the theory of dynamical invariants. We employ a reverse engineering approach to develop control protocols designed to be robust…

Quantum Physics · Physics 2024-08-20 Loris Maria Cangemi , Hilario Espinós , Ricardo Puebla , Erik Torrontegui , Amikam Levy

Quantum Optimal Control Theory (QOCT) provides the necessary tools to theoretically design driving fields capable of controlling a quantum system towards a given state or along a prescribed path in Hilbert space. This theory must be…

Atomic and Molecular Clusters · Physics 2013-05-30 Alberto Castro , Jan Werschnik , Eberhard K. U. Gross

Based on a parametrization of pure quantum states we explicitly construct a sequence of (at most) $4N-5$ local time-continuous waveform controls to achieve a specified state transition for $N$-level quantum systems when sufficient controls…

Quantum Physics · Physics 2012-02-17 Ming Zhang , Jia-Hua Wei , Weiwei Zhou , Hong-Yi Dai , Zairong Xi , S. G. Schirmer

To mitigate dissipative effects from environmental interactions and efficiently stabilize quantum states, time-optimal control has emerged as an effective strategy for open quantum systems. This paper extends the framework by incorporating…

Quantum Physics · Physics 2025-08-25 Yunyan Lee , Ian R. Petersen , Daoyi Dong

A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

Nuclear Theory · Physics 2021-04-28 Giacomo Accorto , Tomoya Naito , Haozhao Liang , Tamara Niksic , Dario Vretenar

Scanning gate microscopy images from measurements made in the vicinity of quantum point contacts were originally interpreted in terms of current flow. Some recent work has analytically connected the local density of states to conductance…

Mesoscale and Nanoscale Physics · Physics 2017-12-22 Ousmane Ly , Rodolfo A. Jalabert , Steven Tomsovic , Dietmar Weinmann

A relativistic density-functional theory based on a Fock-space effective quantum-electrodynamics (QED) Hamiltonian using the Coulomb or Coulomb-Breit two-particle interaction is developed. This effective QED theory properly includes the…

Chemical Physics · Physics 2021-05-03 Julien Toulouse

We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…

Strongly Correlated Electrons · Physics 2018-10-25 Kossi Amouzouvi , Daniel Joubert

The present work demonstrates a robust protocol for probing localized electronic structure in condensed-phase systems, operating in terms of a recently proposed theory for decomposing the results of Kohn-Sham density functional theory in a…

Chemical Physics · Physics 2021-06-29 Janus J. Eriksen

We prove a generalization of the van Leeuwen theorem towards quantum electrodynamics, providing the formal foundations of a time-dependent Kohn-Sham construction for coupled quantized matter and electromagnetic fields. Thereby we circumvent…

Quantum Physics · Physics 2011-10-11 M. Ruggenthaler , F. Mackenroth , D. Bauer

As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…

Chemical Physics · Physics 2014-07-14 Lucas O. Wagner , Thomas E. Baker , E. M. Stoudenmire , Kieron Burke , Steven R. White

The State--Specific Kohn--Sham Density Functional Theory [arXiv:physics/0506037] is used to derive the Kohn-Sham exchange-correlation potential $\vxc$ and exchange-correlation energy $\Eco$ as explicit functionals of $v_s$ and $\phi_1$,…

Chemical Physics · Physics 2025-01-31 James P. Finley

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…

Statistical Mechanics · Physics 2018-11-21 Brett Larder , Dirk Gericke , Scott Richardson , Paul Mabey , Thomas White , Gianluca Gregori

The effective interaction between magnetic impurities in metals that can lead to various magnetic ground states often competes with a tendency for electrons near impurities to screen the local moment (Kondo effect). The simplest system…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 N. J. Craig , J. M. Taylor , E. A. Lester , C. M. Marcus , M. P. Hanson , A. C. Gossard

We generalize the exact strong-interaction limit of the exchange-correlation energy of Kohn-Sham density functional theory to open systems with fluctuating particle numbers. When used in the self-consistent Kohn-Sham procedure on…

Strongly Correlated Electrons · Physics 2015-06-16 André Mirtschink , Michael Seidl , Paola Gori-Giorgi

We propose a quantum control scheme aimed at interacting systems that gives rise to highly selective coupling among their near-to-resonance constituents. Our protocol implements temporal control of the interaction strength, switching it on…

Quantum Physics · Physics 2018-08-06 J. F. Haase , Z. -Y. Wang , J. Casanova , M. B. Plenio

We give a causal inference scheme using quantum observations alone for a case with both temporal and spatial correlations: a bipartite quantum system with measurements at two times. The protocol determines compatibility with 5 causal…

Quantum Physics · Physics 2025-04-01 Xiangjing Liu , Yixian Qiu , Oscar Dahlsten , Vlatko Vedral

We present an ab-initio approach for grand canonical ensembles in thermal equilibrium with local or nonlocal external potentials based on the one-reduced density matrix. We show that equilibrium properties of a grand canonical ensemble are…

Other Condensed Matter · Physics 2015-08-03 Tim Baldsiefen , Attila Cangi , E. K. U. Gross

Quantum control of an open system is demonstrated employing a thermodynamically consistent master equation. In this framework, the open system dynamics depend on the control protocol due to the dressing of the system by the drive. This…

Quantum Physics · Physics 2022-09-16 Shimshon Kallush , Roie Dann , Ronnie Kosloff

We propose to expand the territory of density functional theory to strongly correlated electrons by reformulating the Kohn-Sham scheme in the representation of fractionalized particles. We call it the ``KS* scheme.'' Using inhomogeneous…

Computational Physics · Physics 2025-04-08 Bo Zhao , Jingyu Zhao , Zheng Zhu , Jian Wu , Zheng Liu
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