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We present a novel approach to spin-adapted coupled cluster theory. This approach is based on the entanglement of an open-shell molecule with electrons in a non-interacting bath; together they form a closed-shell state. For the total…

Chemical Physics · Physics 2023-05-22 Sarai Dery Folkestad , Bendik Støa Sannes , Henrik Koch

Recent progress in the numerical solution of the nuclear many-body problem and in the development of nuclear Hamiltonians rooted in Quantum Chromodynamics, has opened the door to first-principle computations of nuclear reactions. In this…

Nuclear Theory · Physics 2020-07-24 J. Rotureau

This paper proposes a new paradigm and computational framework for identification of correspondences between sub-structures of distinct composite systems. For this, we define and investigate a variant of traditional data clustering, termed…

Machine Learning · Computer Science 2007-05-23 Zvika Marx , Ido Dagan , Joachim Buhmann

We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…

Strongly Correlated Electrons · Physics 2021-07-28 Ke Liao , Thomas Schraivogel , Hongjun Luo , Daniel Kats , Ali Alavi

A dynamical formulation of coupled cluster theory is derived using a variational principle. By allowing time-dependent single-particle functions, a high degree of adaptivity is introduced, allowing complex systems to be simulated with high…

Quantum Physics · Physics 2014-11-25 Simen Kvaal

The structure and dynamics of an n-particle system are described with coupled nonlinear Heisenberg's commutator equations where the nonlinear terms are generated by the two-body interaction that excites the reference vacuum via…

High Energy Physics - Theory · Physics 2016-09-06 M Tomaselli , L. C. Liu , T. Kuehl , W. Noertershaeuser , D. Ursescu , S. Fritzsche

With advanced micro- and nano-photonic structures, the vacuum photon-photon coupling rate is anticipated to approach the intrinsic loss rate and lead to unconventional quantum effects. Here, we investigate the classical-to-quantum…

Quantum Physics · Physics 2022-04-11 Yue-Xun Huang , Ming Li , Ke Lin , Yan-Lei Zhang , Guang-Can Guo , Chang-Ling Zou

Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combination of symmetry projection for strong correlation and…

Chemical Physics · Physics 2020-05-14 Yiheng Qiu , Thomas M. Henderson , Jinmo Zhao , Gustavo E. Scuseria

The topological framework of circuit topology has recently been introduced to complement knot theory and to help in understanding the physics of molecular folding. Naturally evolved linear molecular chains, such as proteins and nucleic…

Geometric Topology · Mathematics 2021-09-07 Alireza Mashaghi , Roland van der Veen

The nonperturbative Hamiltonian eigenvalue problem for bound states of a quantum field theory is formulated in terms of Dirac's light-front coordinates and then approximated by the exponential-operator technique of the many-body…

High Energy Physics - Phenomenology · Physics 2015-06-11 J. R. Hiller

The variational quantum eigensolver has been proposed as a low-depth quantum circuit that can be employed to examine strongly correlated systems on today's noisy intermediate-scale quantum computers. We examine details associated with the…

Quantum Physics · Physics 2020-08-26 Luogen Xu , Joseph T. Lee , J. K. Freericks

This paper is concerned with a translation invariant network of identical quantum stochastic systems subjected to external quantum noise. Each node of the network is directly coupled to a finite number of its neighbours. This network is…

Quantum Physics · Physics 2016-11-18 Arash Kh. Sichani , Igor G. Vladimirov , Ian R. Petersen

Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…

Strongly Correlated Electrons · Physics 2007-05-23 Tran Minh-Tien

We study the extension of our translationally invariant treatment of few-body nuclear systems to include tensor forces and correlations. It is shown that a direct application of our method is not as successful for realistic V6 interactions…

Nuclear Theory · Physics 2009-10-31 R. F. Bishop , R. Guardiola , I. Moliner , J. Navarro , M. Portesi , A. Puente , N. R. Walet

It is shown how to adapt the non-perturbative coupled cluster method of many-body theory so that it may be successfully applied to Hamiltonian lattice $SU(N)$ gauge theories. The procedure involves first writing the wavefunctions for the…

High Energy Physics - Lattice · Physics 2009-10-22 C. H. Llewellyn Smith , N. J. Watson

We propose a methodology to explore and measure the pairwise correlations that exist between variables in a dataset. The methodology leverages copulas for encoding dependence between two variables, state-of-the-art optimal transport for…

Machine Learning · Statistics 2016-11-01 Gautier Marti , Sebastien Andler , Frank Nielsen , Philippe Donnat

A parallel splitting method is proposed for solving systems of coupled monotone inclusions in Hilbert spaces. Convergence is established for a wide class of coupling schemes. Unlike classical alternating algorithms, which are limited to two…

Optimization and Control · Mathematics 2009-02-26 H. Attouch , L. M. Briceno-Arias , P. L. Combettes

We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…

Transcorrelated coupled cluster and distinguishable cluster methods are presented. The Hamiltonian is similarity transformed with a Jastrow factor in the first quantisation, which results in up to three-body integrals. The coupled cluster…

Chemical Physics · Physics 2021-12-22 Thomas Schraivogel , Aron J. Cohen , Ali Alavi , Daniel Kats

A modified version of the Multicluster Dynamic Model of nuclei is proposed to construct completely antisymmetrized wave functions of multicluster systems. An overlap kernel operator is introduced to renormalize the total wave function after…

Nuclear Theory · Physics 2007-05-23 R. A. Eramzhyan , G. G. Ryzhikh , Yu. M. Tchuvil'sky