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We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the calculation of excited-state wavefunctions and energies. We…

Strongly Correlated Electrons · Physics 2017-11-22 Adam A. Holmes , C. J. Umrigar , Sandeep Sharma

Several approximations are tested by calculating the ground-state energy and the energy of the first excited $0^{+}$ state using an exactly solvable model with two symmetric levels interacting via a pairing force. They are the BCS…

Nuclear Theory · Physics 2009-09-29 Nguyen Dinh Dang

We consider a few-boson system confined to one dimension with a single distinguishable particle of lesser mass. All particle interactions are modeled with $\delta$-functions, but due to the mass imbalance the problem is nonintegrable.…

Quantum Gases · Physics 2015-10-28 Nirav P. Mehta , Connor D. Morehead

We propose and justify a new approach for fast calculation of the electrostatic interaction energy of clusters of charged particles in constrained energy minimization in the framework of rigid protein-ligand docking. Our ``blind search''…

Numerical Analysis · Mathematics 2025-10-31 Peter Benner , Boris N. Khoromskij , Venera Khoromskaia , Matthias Stein

The Effective Field Theory "without pions" at next-to-leading order is used to analyze universal bound state and scattering properties of the 3- and 4-nucleon system. Results of a variety of phase shift equivalent nuclear potentials are…

A two-component four-fermion system with equal masses, interspecies s-wave scattering length a and vanishing intraspecies interactions under external spherically symmetric harmonic confinement is considered. Using a correlated Gaussian…

Quantum Gases · Physics 2015-05-14 D. Blume , K. M. Daily

Accurate intermolecular potential-energy surfaces (IPESs) for the ground and first excited states of the Sr-H$_2$ and Yb-H$_2$ complexes were calculated. After an extensive methodological study, the CCSD(T) method with the…

Computational Physics · Physics 2019-07-16 Hubert Cybulski

We derive the explicit expression for the four-point correlation function of stress-energy tensors in four-dimensional N=4 superconformal theory. We show that it has a remarkably simple and suggestive form allowing us to predict a large…

High Energy Physics - Theory · Physics 2016-01-27 G. P. Korchemsky , E. Sokatchev

We calculate the ground state energies of a system of two dipolar fermions trapped in a harmonic oscillator potential. The dipoles are assumed to be aligned parallel to each other. We perform the calculations of ground state energy as a…

Atomic and Molecular Clusters · Physics 2014-10-09 Amit K. Das , Arup Banerjee

The electric structure of twisted bilayer GeSe, which shows a rectangular moir\'{e} pattern, is analyzed using a $\bm{k}\cdot\bm{p}$ type effective continuum model. The effective model is constructed on the basis of the the local…

Mesoscale and Nanoscale Physics · Physics 2021-09-29 Manato Fujimoto , Toshikaze Kariyado

We present the computational methodology which for the first time allows rigorous twelve-dimensional (12D) quantum calculations of the coupled intramolecular and intermolecular vibrational states of hydrogen-bonded trimers of flexible…

Chemical Physics · Physics 2023-07-05 Peter M. Felker , Zlatko Bačić

We investigate the multi-channel 4-body scattering system using regularized 2- and 3-body contact interactions. The analysis determines the sensitivity of bound-state energies, scattering phase shifts and cross sections on the cutoff…

Nuclear Theory · Physics 2024-11-04 Sourav Mondal , Rakshanda Goswami , Udit Raha , Johannes Kirscher

We calculate correlation energies associated with the quadrupolar shape degrees of freedom with a view to improving the self-consistent mean-field theory of nuclear binding energies. The Generator Coordinate Method is employed using…

Nuclear Theory · Physics 2009-11-10 M. Bender , G. F. Bertsch , P. -H. Heenen

Electron-hole (e-h) capture in luminescent conjugated polymers (LCPs) is modeled by the dissipative dynamics of a multilevel electronic system coupled to a phonon bath. Electroinjected e-h pairs are simulated by a mixed quantum state, which…

Materials Science · Physics 2007-05-23 S. Karabunarliev , Eric R. Bittner

We show that four heavy fermions interacting resonantly with a lighter atom (4+1 system) become Efimovian at mass ratio 13.279(2), which is smaller than the corresponding 2+1 and 3+1 thresholds. We thus predict the five-body Efimov effect…

Quantum Gases · Physics 2017-02-28 Betzalel Bazak , Dmitry S. Petrov

The lowest doublet electronic state for the lithium trimer (2A') is calculated for use in three-body scattering calculations using the valence electron FCI method with atomic cores represented using an effective core potential. It is shown…

Chemical Physics · Physics 2015-05-13 Jason N. Byrd , John A. Montgomery , H. Harvey Michels , Robin Côté

We consider the problem of $N$ identical fermions interacting via a zero-range attractive potential with a lighter atom in one dimension. Using the few-body approach based on the Skorniakov and Ter-Martirosian equation, we determine the…

Quantum Gases · Physics 2022-07-13 A. Tononi , J. Givois , D. S. Petrov

We study the ground--state shell correction energy of a fermionic gas in a mean--field approximation. Considering the particular case of 3D harmonic trapping potentials, we show the rich variety of different behaviors (erratic, regular,…

Nuclear Theory · Physics 2008-11-26 Jérôme Roccia , Patricio Leboeuf

The projection method is used to demonstrate the existence of positron attachment to three doubly excited states of helium. The e^+He(2s^2 1Se), e^+He(3s^2 1Se), and the e^+He(2s2p 3Po) states have binding energies of 0.447eV, 0.256eV and…

Atomic Physics · Physics 2013-05-28 M. W. J. Bromley , J. Mitroy , K. Varga

A powerful experimental technique to study Efimov physics at positive scattering lengths is demonstrated. We use the Feshbach dimers as a local reference for Efimov trimers by creating a coherent superposition of both states. Measurement of…

Quantum Gases · Physics 2019-05-29 Yaakov Yudkin , Roy Elbaz , P. Giannakeas , Chris H. Greene , Lev Khaykovich
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