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A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known…

Chemical Physics · Physics 2015-07-09 Jason N. Byrd , Varun Rishi , Ajith Perera , Rodney J. Bartlett

The calculation of molecular excited states is critically important to decipher a plethora of molecular properties. In this manuscript, we develop an equation of motion formalism on top of a bi-exponentially parametrized ground state…

Chemical Physics · Physics 2024-01-09 Anish Chakraborty , Pradipta Kumar Samanta , Rahul Maitra

We introduce a new geometric framework for relativistic particle dynamics based on contact geometry and suitable for treating dissipative processes like particle decay. The dynamics is formulated on a nine--dimensional extended phase space…

Mathematical Physics · Physics 2026-04-15 Begum Atesli , Ogul Esen , Michal Pavelka

We characterize good clocks, which are naturally subject to fluctuations, in statistical terms. We also obtain the master equation that governs the evolution of quantum systems according to these clocks and find its general solution. This…

Quantum Physics · Physics 2009-10-31 Inigo L. Egusquiza , Luis J. Garay , Jose M. Raya

We study two different methods to prepare excited states on a quantum computer, a key initial step to study dynamics within linear response theory. The first method uses unitary evolution for a short time $T=\mathcal{O}(\sqrt{1-F})$ to…

Quantum Physics · Physics 2021-01-12 Alessandro Roggero , Chenyi Gu , Alessandro Baroni , Thomas Papenbrock

We introduce a multimodel approach to solve coupled cluster equations, employing a quasi Newton algorithm for the ground state and an Olsen algorithm for the excited states. In these algorithms, both of which can be viewed as Newton…

Chemical Physics · Physics 2020-07-15 Eirik F. Kjønstad , Sarai D. Folkestad , Henrik Koch

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

Coupling of cluster and deformed structures are important for dynamics of nuclear structure. Threshold energy has been discussed to explain cluster structures coupling to deformed states but relation between threshold energy and excitation…

Nuclear Theory · Physics 2019-06-12 Yasutaka Taniguchi

A model for studying atomtronic devices and circuits based on finite temperature Bose-condensed gases is presented. The approach involves numerically solving equations of motion for atomic populations and coherences, derived using the…

Atomic Physics · Physics 2016-08-29 Weng W. Chow , Cameron J. E. Straatsma , Dana Z. Anderson

We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian…

Quantum Physics · Physics 2018-03-14 Tao Shi , Eugene Demler , J. Ignacio Cirac

We aim to describe the cluster states of nuclear systems starting with a realistic interaction, which is a challenge of modern nuclear theories. Here, the short-range correlation of realistic interaction is treated by employing the damping…

Nuclear Theory · Physics 2020-03-20 Naoyuki Itagaki , Tokuro Fukui , Akihiro Tohsaki

Description of a nuclear system in its ground state and at low excitations based on the equation of state (EoS) around normal density is presented. In the expansion of the EoS around the saturation point additional spin polarization terms…

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

The existence of the $0_3^+$ and $0_4^+$ states around 10 MeV excitation energy in ${^{12}{\rm C}}$ is confirmed by a fully microscopic 3$\alpha$ cluster model. Firstly, a GCM (generator coordinate method) calculation is performed by…

Nuclear Theory · Physics 2016-11-09 Bo Zhou , Akihiro Tohsaki , Hisashi Horiuchi , Zhongzhou Ren

A method is introduced to optimize excited state trial wave functions. The method is applied to ground and vibrationally excited states of bosonic van der Waals clusters of upto seven particles. Employing optimized trial wavefunctions with…

Chemical Physics · Physics 2007-05-23 M. P. Nightingale , Vilen Melik-Alaverdian

Gaussian wavepackets are a popular tool for semiclassical analyses of classically chaotic systems. We demonstrate that they are extremely powerful in the semiquantal analysis of such systems, too, where their dynamics can be recast in an…

chao-dyn · Physics 2009-10-22 Arjendu K. Pattanayak , William C. Schieve

A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates…

Statistical Mechanics · Physics 2016-07-29 Alvise Bastianello , Spyros Sotiriadis

We construct a scheme for self-replicating square clusters of particles in two spatial dimensions, and validate it with computer simulations in a finite-temperature heat bath. We find that the self-replication reactions propagate through…

Soft Condensed Matter · Physics 2017-04-05 Hidenori Tanaka , Zorana Zeravcic , Michael P. Brenner

A method is presented in which the ground-state subspace is projected out of a Hamiltonian representation. As a result of this projection, an effective Hamiltonian is constructed where its ground-state coincides with an excited-state of the…

Quantum Physics · Physics 2023-08-14 P. Jouzdani , S. Bringuier , M. Kostuk

We present a study of the two dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories including the…

Chemical Physics · Physics 2022-03-23 Faruk Salihbegović , Alejandro Gallo , Andreas Grüneis