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Special Issue "Quantum Many-Body Systems"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: 30 September 2019

Special Issue Editor

Guest Editor
Dr. Dimitri Van Neck

Center for Molecular Modeling, Ghent University , Ghent, Belgium
Website | E-Mail
Interests: quantum many-body methods in electronic and nuclear structure calculations, tensor network states, green function methods, density matrices, geminal wave functions

Special Issue Information

Dear Colleagues,

The electronic structure of molecules and solids determines their microscopic properties,  and the use of quantum many-body methods to unravel this structure has a long history. In recent years, however, novel techniques have been explored, and significant progress has been made in more traditional methods. After the success of the density matrix renormalization group in chemistry, the matrix product wave function ansatz has been generalized to various tensor network architectures, which offer the hope of a more effective description of the electron entanglement in molecules. In particular, the tree tensor structure has been analyzed, and methods to incorporate global spin symmetry have recently become available. Variants of coupled-cluster and projected Schrödinger equations techniques are being vigorously explored. Symmetry-breaking wave functions in conjunction with variation after projection have been studied. Another recent technique exploits a seniority-based hierarchy, of which the lowest rung are the fully paired geminal-based wave functions. Additionally, the direct variational determination of the two-particle density matrix under well-chosen N-representability conditions remains an actively pursued technique, and pure-state conditions (quantum marginal problem) have started to arouse interest. A Special Issue of Molecules will be devoted to the use of advanced quantum many-body techniques in electronic structure theory. Researchers who are involved in these fields are kindly invited to contribute to this Issue by submitting original research papers or reviews of their work. I think it is timely to gather some of the exciting new results and thereby make further advances in this field.

Dr. Dimitri Van Neck
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • Quantum many-body methods
  • Electronic structure
  • Strongly correlated systems
  • Tensor networks
  • Symmetry breaking and restoration
  • Coupled cluster
  • Projected Schrödinger equation
  • Geminals
  • N-representability

Published Papers

This special issue is now open for submission, see below for planned papers.

Planned Papers

The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.

1. Author: Lianao Wu

Affiliation: Department of Theoretical Physics, University of Basque Country UPV/EHU

Review: Quantum simulation of many-body electron--electron Coulomb
interactions in ionic systems

This is a review of a quantum simulation strategy we proposed. This
simulation strategy uses ion-based systems to study the many-body
Coulomb interactions among electrons. Many-body electron-electron
Coulomb interaction plays an important part in many interesting
phenomenons such as hall effects and superconductors, it is
theoretically difficult to deal with as a quantum many-body problem, and
electrons are difficult to control experimentally. This problem can be
potentially solved by quantum simulators, which have enjoyed a lot of
research attention and experimental success. We prove that it is
possible to simulate the exact propagator of the interacting electron
system using trapped ions, and the explicit mapping between the two
systems is found to be a unitary dilatation transform.

Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
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