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Time-dependent response theories are foundational to the development of algorithms that determine quantum properties of electronic excited states of molecules and periodic systems. They are employed in wave-function, density-functional, and…

Chemical Physics · Physics 2022-11-23 Martín A. Mosquera

A precise understanding of mechanisms governing the dynamics of electrons in atoms and molecules subjected to intense laser fields has a key importance for the description of attosecond processes such as the high-harmonic generation and…

Structures of excited states in $^{14}$C are investigated with a method of $\beta$-$\gamma$ constraint antisymmetrized molecular dynamics in combination with the generator coordinate method. Various excited states with the developed…

Nuclear Theory · Physics 2011-03-10 Tadahiro Suhara , Yoshiko Kanada-En'yo

Gaussian wave packets (GWPs) are well suited as basis functions to describe the time evolution of arbitrary wave functions in systems with nonsingular smooth potentials. They are less so in atomic systems on account of the singular behavior…

Atomic Physics · Physics 2015-05-13 Tomaž Fabčič , Jörg Main , Günter Wunner

The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He-4 and O-16…

Nuclear Theory · Physics 2009-11-10 K. Kowalski , D. J. Dean , M. Hjorth-Jensen , T. Papenbrock , P. Piecuch

Quantum computing provides a novel avenue towards simulating dynamical phenomena, and, in particular, scattering processes relevant for exploring the structure of matter. However, preparing and evolving particle wave packets on a quantum…

Elastic-scattering phase shifts for four-nucleon systems are studied in an $ab$-$initio$ type cluster model in order to clarify the role of the tensor force and to investigate cluster distortions in low energy $d+d$ and $t+p$ scattering. In…

Nuclear Theory · Physics 2015-05-28 S. Aoyama , K. Arai , Y. Suzuki , P. Descouvemont , D. Baye

A novel, exact, theoretical method for the study of the excited states of a system is presented. It is demonstrated how to transform the excited state problem of one Hamiltonian into the ground state problem of an auxiliary one. From this,…

Quantum Physics · Physics 2012-06-22 Ramón Alain Miranda Quintana

The low-lying cluster states of 6He (a+n+n) and 6Li (a+n+p) are calculated by the real-time evolution method (REM) which generates basis wave functions for the generator coordinate method (GCM) from the equation of motion of Gaussian wave…

Nuclear Theory · Physics 2022-11-18 Q. Zhao , B. Zhou , M. Kimura , H. Motoki , Seung-heon Shin

A given set of data-points in some feature space may be associated with a Schrodinger equation whose potential is determined by the data. This is known to lead to good clustering solutions. Here we extend this approach into a full-fledged…

Data Analysis, Statistics and Probability · Physics 2010-02-16 Marvin Weinstein , David Horn

A microscopic description of nuclei is important to understand the nuclear shell-model from fundamental principles. This is difficult to achieve for more than the lightest nuclei without an effective approximation scheme. The purpose of…

Nuclear Theory · Physics 2013-08-19 Gustav R. Jansen

Starting from a time-dependent Schr\"odinger equation, stationary states of 3D central potentials are obtained. An imaginary-time evolution technique coupled with the minimization of energy expectation value, subject to the orthogonality…

Quantum Physics · Physics 2018-01-18 Amlan K. Roy

The dynamics of quantum systems can be approximated by the time propagation of Gaussian wave packets. Applying a time dependent variational principle, the time evolution of the parameters of the coupled Gaussian wave packets can be…

Quantum Physics · Physics 2008-02-01 T. Fabcic , J. Main , G. Wunner

We introduce an approach for approximate real-time evolution of quantum systems using Tensor Renormalization Group (TRG) methods originally developed for imaginary time. We use Higher- Order TRG (HOTRG) to generate a coarse-grained time…

Quantum Physics · Physics 2024-11-11 Michael Hite , Yannick Meurice

We propose a numerical method for approximate calculations of the time evolution of point particle systems given only the system's Hamiltonian function and initial conditions. The method both generates and solves the equations of motion…

Computational Physics · Physics 2022-12-27 José M. L. Amoreira , Luís J. M. Amoreira

We propose a new variational quantum algorithm, which we refer to as TIMES-ADAPT, that prepares time-evolved states in a low-energy or symmetric subspace of a time-independent Hamiltonian on a quantum computer. Using a specially trained…

Several perspectives of the cluster Gutzwiller method are briefly discussed. I show that the cluster mean-field method can be used for large inhomogeneous lattices, for computing local excitations, and for the time evolution of correlated…

Quantum Gases · Physics 2016-08-10 Dirk-Sören Lühmann

A microscopic $n\alpha$ cluster model was applied to $^{8}$Be, $^{12}$C, and $^{16}$O systems to investigate cluster motion in the ground state and radial excitation. In the microscopic calculation of $^{12}$C and $^{16}$O using the…

Nuclear Theory · Physics 2024-03-21 Yoshiko Kanada-En'yo , Nobuo Hinohara

Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational…

Strongly Correlated Electrons · Physics 2025-09-01 Tao Yang , Rui Wang , Z. Y. Xie , Baigeng Wang

We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the…

Chemical Physics · Physics 2016-02-02 Ruth S. T. Franklin , James S. Spencer , Alberto Zoccante , Alex J. W. Thom
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