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arXiv:nucl-th/9508023 · Physical Review C

Precise solution of few-body problems with the stochastic variational method on a correlated Gaussian basis

Kálmán Varga, Y. Suzuki

Published Dec 1, 1995• 410 citations
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Abstract

Precise variational solutions are given for problems involving diverse fermionic and bosonic (N=2--7)-body systems. The trial wave functions are chosen to be combinations of correlated Gaussians, which are constructed from products of the single-particle Gaussian wave packets through an integral transformation, thereby facilitating fully analytical calculations of the matrix elements. The nonlinear parameters of the trial function are chosen by a stochastic technique. The method has proved very efficient, virtually exact, and it seems feasible for any few-body bound-state problems emerging in nuclear or atomic physics.

DOI
10.1103/physrevc.52.2885

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Precise variational solutions are given for problems involving diverse fermionic and bosonic (N=2--7)-body systems. The trial wave functions are chosen to be combinations of correlated Gaussians, which are constructed from products of the single-particle Gaussian wave packets through an integral transformation, thereby facilitating fully analytical calculations of the matrix elements. The nonlinear parameters of the trial function are chosen by a stochastic technique. The method has proved very efficient, virtually exact, and it seems feasible for any few-body bound-state problems emerging in nuclear or atomic physics.
Variational solutions are given for problems involving diverse fermionic and bosonic N=2--7-body systems. The trial wave functions are chosen to be combinations of correlated Gaussians, which facilitate a fully analytical calculation of the matrix elements. The nonlinear parameters of the trial function are selected by a stochastic technique. The method has proved efficient, accurate, and seems feasible for any few-body bound-state problems emerging in atomic or nuclear physics. \textcopyright{} 1996 The American Physical Society.
Quantum few-body systems are deceptively simple. Indeed, with the notable exception of a few special cases, their associated Schrodinger equation cannot be solved analytically for more than two particles. One has to resort to approximation methods to tackle quantum few-body problems. In particular, variational methods have been proposed to ease numerical calculations and obtain precise solutions. One such method is the Stochastic Variational Method, which employs a stochastic search to determine the number and parameters of correlated Gaussian basis functions used to construct an ansatz of the wave function. Stochastic methods, however, face numerical and optimization challenges as the number of particles increases. We introduce a family of gradient variational methods that replace stochastic search with gradient optimization. We comparatively and empirically evaluate the performance of the baseline Stochastic Variational Method, several instances of the gradient variational method family, and some hybrid methods for selected few-body problems. We show that gradient and hybrid methods can be more efficient and effective than the Stochastic Variational Method. We discuss the role of singularities, oscillations, and gradient optimization strategies in the performance of the respective methods.
Abstract Quantum few-body systems are deceptively simple. Indeed, with the notable exception of a few special cases, their associated Schrödinger equation cannot be solved analytically for more than two particles. One has to resort to approximation methods to tackle quantum few-body problems. In particular, variational methods have been proposed to ease numerical calculations and obtain precise solutions. One such method is the Stochastic Variational Method, which employs a stochastic search to determine the number and parameters of correlated Gaussian basis functions used to construct an ansatz of the wave function. Stochastic methods, however, face numerical and optimization challenges as the number of particles increases. We introduce a family of gradient variational methods that replace stochastic search with gradient optimization. We comparatively and empirically evaluate the performance of the baseline Stochastic Variational Method, several instances of the gradient variational method family, and some hybrid methods for selected few-body problems. We show that gradient and hybrid methods can be more efficient and effective than the Stochastic Variational Method. We discuss the role of singularities, oscillations, and gradient optimization strategies in the performance of the respective methods.
Few-body correlations often express the distinguishing characteristic features of a many-body system. This thesis studies such correlations within dilute Bose-Einstein condensates in the case of arbitrary negative s-wave scattering length. The N-boson problem is solved by using an ab-initio approach based on correlated Gaussians that allows explicit inclusion of few-body correlations with a computational complexity that is independent of the number of particles. Calculations introducing all higher-order correlations are also done for small systems. In the weakly interacting regime, two-body correlations are not only the simplest but also the most important. By varying the scattering length and comparing the ground state energy for different explicitly correlated trial wave functions this assumption is investigated under both weakly and strongly interacting conditions.
A new variational approach is developed for studying the properties of systems of particles interacting through singular short-range repulsions that give rise to strong two-particle correlations. The correlated trial function ${\ensuremath{\Psi}}_{\ensuremath{\gamma}}={e}^{S}{\ensuremath{\Phi}}_{\ensuremath{\gamma}}$ (state $\ensuremath{\gamma}$) results, with proper choice of SSS, in a simple form for the energy expectation value 〈H〉〈H〉〈H〉---as well as for other matrix elements of interest---which is devoid of all reference to the strong repulsions except through e2S{e}^{2S}e2S factors and hence is particularly suited to calculation. In many cases an independent-particle type ${\ensuremath{\Phi}}_{\ensuremath{\gamma}}$ seems appropriate. The cluster evaluation of this form for 〈H〉〈H〉〈H〉 is discussed, both in the few-particle and many-particle cases. Using the techniques of Iwamoto and Yamada, simplified convergent cluster expansions for the energy expectation value are derived for many-fermion and many-boson systems. A program for application of this method to nuclear problems is being initiated.
We formulate a general multi-mode Gaussian operator basis for fermions, to enable a positive phase-space representation of correlated Fermi states. The Gaussian basis extends existing bosonic phase-space methods to Fermi systems and thus allows first-principles dynamical or equilibrium calculations in quantum many-body Fermi systems. We prove the completeness of the basis and derive differential forms for products with one- and two-body operators. Because the basis satisfies fermionic superselection rules, the resulting phase space involves only c -numbers, without requiring anticommuting Grassmann variables. Furthermore, because of the overcompleteness of the basis, the phase-space distribution can always be chosen positive. This has important consequences for the sign problem in fermion physics.