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We study three wave function optimization methods based on energy minimization in a variational Monte Carlo framework: the Newton, linear and perturbative methods. In the Newton method, the parameter variations are calculated from the…

Chemical Physics · Physics 2015-06-26 Julien Toulouse , C. J. Umrigar

Quantum Monte Carlo (QMC) is a stochastic method which has been particularly successful for ground-state electronic structure calculations but mostly unexplored for the computation of excited-state energies. Here, we show that, within a…

Chemical Physics · Physics 2018-08-09 Anthony Scemama , Anouar Benali , Denis Jacquemin , Michel Caffarel , Pierre-François Loos

We present a new method for computing the lowest few eigenvalues and the corresponding eigenvectors of a nuclear many-body Hamiltonian represented in a truncated configuration interaction subspace, i.e., the no-core shell model (NCSM). The…

Computational Physics · Physics 2024-07-16 Dong Min Roh , Esmond Ng , Chao Yang , Dean Lee , Pieter Maris , James P. Vary

Reliable simulations of correlated quantum systems, including high-temperature superconductors and frustrated magnets, are increasingly desired nowadays to further understanding of essential features in such systems. Quantum Monte Carlo…

Strongly Correlated Electrons · Physics 2019-03-28 Zi-Xiang Li , Hong Yao

Long-range interactions are relevant for a large variety of quantum systems in quantum optics and condensed matter physics. In particular, the control of quantum-optical platforms promises to gain deep insights in quantum-critical…

Strongly Correlated Electrons · Physics 2024-03-04 P. Adelhardt , J. A. Koziol , A. Langheld , K. P. Schmidt

In this paper we have solved the Bohmian equations of quantum gravity, perturbatively. Solutions up to second order are derived explicitly, but in principle the method can be used in any order. Some consequences of the solution are…

General Relativity and Quantum Cosmology · Physics 2009-10-31 Fatimah Shojai

We investigate the applicability of Quasi-Monte Carlo methods to Euclidean lattice systems for quantum mechanics in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable…

High Energy Physics - Lattice · Physics 2013-11-19 K. Jansen , H. Leovey , A. Ammon , A. Griewank , M. Müller-Preussker

We formulate two methods to facilitate the calculation of perturbative corrections to quantum few-body observables. Both techniques are designed for a numerical realization in combination with any tool that obtains either the entire…

Nuclear Theory · Physics 2025-09-23 Sourav Mondal , Martin Schäfer , Mirko Bagnarol , Nir Barnea , Udit Raha , Johannes Kirscher

Ab initio calculations play an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear…

Polaron tunneling is a prominent example of a problem characterized by different energy scales, for which the standard quantum Monte Carlo methods face a slowdown problem. We propose a new quantum-tunneling Monte Carlo (QTMC) method which…

Quantum Gases · Physics 2021-04-14 A. S. Popova , V. V. Tiunova , A. N. Rubtsov

We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…

From celestial mechanics to quantum theory of atoms and molecules, perturbation theory has played a central role in natural sciences. Particularly in quantum mechanics, the amount of information needed for specifying the state of a…

Quantum Physics · Physics 2016-07-06 Yudong Cao , Sabre Kais

In pursuing the essential elements of nuclear binding, we compute ground-state properties of atomic nuclei with up to $A=20$ nucleons, using as input a leading order pionless effective field theory Hamiltonian. A variational Monte Carlo…

Nuclear Theory · Physics 2023-09-01 A. Gnech , B. Fore , A. Lovato

Quantum Monte Carlo methods are sophisticated numerical techniques for simulating interacting quantum systems. In some cases, however, they suffer from the notorious "sign problem" and become too inefficient to be useful. A recent…

Strongly Correlated Electrons · Physics 2008-05-16 K. S. D. Beach , Matthieu Mambrini , Fabien Alet

We address the issue of accurately treating interaction effects in the mesoscopic regime by investigating the ground state properties of isolated irregular quantum dots. Quantum Monte Carlo techniques are used to calculate the distributions…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Amit Ghosal , C. J. Umrigar , Hong Jiang , Denis Ullmo , Harold U. Baranger

A nonperturbative correction to the thermal nucleation rate of critical bubbles in a first order phase transition is estimated. The correction originates from large-amplitude fluctuations which may be present before the transition occurs.…

High Energy Physics - Phenomenology · Physics 2009-10-28 Marcelo Gleiser , Andrew F. Heckler

Quantum Monte Carlo method is applied to fractional quantum Hall systems. The use of the linear programming method enables us to avoid the negative-sign problem in the Quantum Monte Carlo calculations. The formulation of this method and the…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Sei Suzuki , Tatsuya Nakajima

Perturbative estimates of operator coefficients for improved lattice actions are becoming increasingly important for precision simulations of many hadronic observables. Following previous work by Dimm, Lepage, and Mackenzie, we consider the…

High Energy Physics - Lattice · Physics 2009-10-30 Howard D. Trottier , G. Peter Lepage

We calculate the next-to-leading order corrections to the $SU(2)\otimes SU(2)$ and $SU(3)\otimes SU(3)$ Gell-Mann-Oakes-Renner relations. We use a pseudoscalar correlator calculated from Perturbative QCD up to five loops and use the QCD…

High Energy Physics - Phenomenology · Physics 2024-03-28 Preshin Moodley

We introduce a new and well defined power counting for the effective field theory describing nucleon-nucleon interactions. Because of the large NN scattering lengths it differs from other applications of chiral perturbation theory and is…

Nuclear Theory · Physics 2009-10-31 David B. Kaplan , Martin J. Savage , Mark B. Wise
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