Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:cond-mat/9409098 · Physical review. B, Condensed matter

A perturbative and variational approach to quantum lattice Hamiltonians

José G. Esteve, Germán Sierra

Published Apr 1, 1995• 1 citation
arXivHTMLPDF

Abstract

We propose a method to construct the ground state \ensuremath{\psi}(\ensuremath{\lambda}) of local lattice Hamiltonians with the generic form ${\mathit{H}}_{0}$+\ensuremath{\lambda}${\mathit{H}}_{1}$, where \ensuremath{\lambda} is a coupling constant and ${\mathit{H}}_{0}$ is a Hamiltonian with a nondegenerate ground state ${\mathrm{\ensuremath{\psi}}}_{0}$. The method is based on the choice of an exponential ansatz \ensuremath{\psi}(\ensuremath{\lambda})=exp[U(\ensuremath{\lambda})]${\mathrm{\ensuremath{\psi}}}_{0}$, which is a sort of generalized lattice version of a Jastrow wave function. We combine perturbative and variational techniques to get successive approximations of the operator U(\ensuremath{\lambda}). Perturbation theory is used to set up a variational method which in turn produces nonperturbative results. The computation with this kind of ansatz leads us to associate to the original quantum-mechanical problem a statistical-mechanical system defined in the same spatial dimension. In some cases these statistical-mechanical systems turn out to be integrable, which allows us to obtain exact upper bounds to the energy. The general ideas of our method are illustrated in the example of the Ising model in a transverse field.

DOI
10.1103/physrevb.51.8928

Related papers

The t expansion: A nonperturbative analytic tool for Hamiltonian systems

D. Horn, Marvin Weinstein

A systematic nonperturbative scheme is developed to calculate the ground-state expectation values of arbitrary operators for any Hamiltonian system. Quantities computed in this way converge rapidly to their true expectation values. The method is based upon the use of the operator ${e}^{\ensuremath{-}tH}$ to contract any trial state onto the true ground state of the Hamiltonian $H$. We express all expectation values in the contracted state as a power series in $t$, and reconstruct $t\ensuremath{\rightarrow}\ensuremath{\infty}$ behavior by means of Pad\'e approximants. The problem associated with factors of spatial volume is taken care of by developing a connected graph expansion for matrix elements of arbitrary operators taken between arbitrary states. We investigate Pad\'e methods for the $t$ series and discuss the merits of various procedures. As examples of the power of this technique we present results obtained for the Heisenberg and Ising models in 1+1 dimensions starting from simple mean-field wave functions. The improvement upon mean-field results is remarkable for the amount of effort required. The connection between our method and conventional perturbation theory is established, and a generalization of the technique which allows us to exploit off-diagonal matrix elements is introduced. The bistate procedure is used to develop a $t$ expansion for the ground-state energy of the Ising model which is, term by term, self-dual.

Physical review. D. Particles, fields, gravitation, and cosmology/Physical review. D. Particles and fields•Sep 15, 1984•158 citations

Improved Hamiltonian variational technique for lattice models

Elbio R. Dagotto, Adriana Moreo

In the context of the Hamiltonian variational approach we propose a systematic method for the improvement of any given trial wave function. The approach has many similarities with the Lanczos scheme and it may be used for quantum-mechanical problems as well as field-theory and statistical-mechanics systems. We apply the method to the Mathieu equation and to the Ising one-dimensional model in a finite lattice. The agreement between our results and the exact ones is excellent in the whole range of parameters. We also briefly discuss the application of these ideas to lattice gauge theories and the similarities with other recently proposed methods.

Physical review. D. Particles, fields, gravitation, and cosmology/Physical review. D. Particles and fields•Feb 15, 1985•116 citations

Variational Monte Carlo

Federico Becca, Sandro Sorella

Quantum Averages and Statistical Samplings In this chapter, we discuss the general framework in which the variational Monte Carlo methods are defined and few important implementations for interacting systems of bosons and fermions on the lattice. The main advantage of considering this approach relies on the variational principle that has been shown in section 1.4: the energy of a given quantum state is always bounded from below by the exact ground-state one, giving us the route to obtain the best possible solution to the problem. In most cases, a suitable parametrization of the variational wave function allows us to consider a wide range of different quantum phases (e.g., metals, superconductors, and insulators). By performing an optimization of the parameters, we can reach the lowest-energy state, which is expected to capture the correct ground-state behavior. Therefore, variational wave functions represent a flexible and valuable approach to get important insights into the low-energy properties of models that cannot be solved by exact methods. By contrast, the main limitation of this approach is the fact that it is based on a given Ansatz , which may contain a relevant bias that cannot be removed within the chosen parametrization. We also mention that variational wave functions can be easily defined and treated for a wide class of models, irrespective of the range of interactions and the dimension of the local (i.e., single-site) Hilbert space, which can be even infinite and does not need the use of an uncontrolled cutoff to work with a finite-dimensional space. In this respect, variational Monte Carlo is better than other methods, like densitymatrix renormalization group or tensor-network methods in which the complexity dramatically increases with both the range of the interaction and the dimension of the local Hilbert space (White, 1992; Schollwöck, 2005, 2011). Let us start by describing the general framework in which variational Monte Carlo methods are defined. First of all, we fix a complete basis set in the Hilbert space, in which (for simplicity) the states are taken to be orthogonal and normalized such that: Then, any quantum state can be written as: In turn, the expectation value of an operator over a given variational wave function takes the following form: The main problem in evaluating the expectation value is that the number of configurations in the sum is exponentially large with the number of particles.

Cambridge University Press eBooks•Nov 29, 2017•2 citations

Variational Method in Quantum Field Theory

Arthur Hutsalyuk, Márton Lájer, Giuseppe Mussardo +1 more

We develop a variational framework for addressing two-dimensional non-integrable quantum field theories through the exact structure of their integrable counterparts. Concentrating on the $\varphi^4$ Landau-Ginzburg model, we use the analytical Vacuum Expectation Values and Form Factors of local operators in the sinh-Gordon theory as the foundation of a variational ansatz. In this way, we obtain controlled estimates of central physical quantities of the $\varphi^4$ theory - such as the finite-volume ground-state energy and the physical mass as a function of the coupling constant. The strengths of the variational methods are leveraged in combination with the Hamiltonian truncation techniques and the LeClair-Mussardo formula, which also allow to probe the accuracy of the variational approximation varying the system size. Within the weak-coupling regime, a detailed numerical analysis reveals the behaviour of the finite-volume spectrum, the ground-state energy, and the elastic part of the scattering matrix, showing how the rigorous machinery of integrable models can serve as a guiding light into the complex landscape of non-integrable quantum field dynamics.

hep-thCross-listedarXiv:2511.08686•Journal of High Energy Physics•Nov 13, 2025•0 citations

A Variational Method for Many-Body Systems Using a Separation into a Difference of Hamiltonians

Manfred Hader, Franz G. Mertens

A particular ansatz for the wave function leads to an upper bound for the exact ground-state energy. This allows a variation with respect to a separation parameter. The method is tested for a one-dimensional lattice with Morse interactions where the Toda subsystems can be solved by the Bethe ansatz. In two limiting cases our results are exact, otherwise they are in excellent agreement with the quantum transfer integral method.

Europhysics Letters (EPL)•Feb 1, 1988•2 citations

Statistical Mechanics of Coupled Particles in the Schrödinger Representation

Robert H. Kraichnan

A perturbation treatment is presented for the operator $u(t)$ giving the evolution of the state vector of a system of $N$ particles coupled by 2-body forces. The total Hamiltonian is divided into a diagonal part ${H}_{0}$ and off-diagonal part ${H}_{1}$ in the representation with $N$-particle plane-wave states as basis. An effective pair-interaction operator ${\overline{H}}_{1}$ is defined which includes "vertex" corrections of all orders, and the off-diagonal part of $u$ is expressed exactly by an expansion which involves only ${\overline{H}}_{1}$ and the exact diagonal part of $u$. A closed set of equations determining ${\overline{H}}_{1}$ and the diagonal part of $u$ are obtained by retaining only the leading terms in the expansion. These equations include all the corrections included in the Brueckner approximation and, in addition, they contain 3-body effects, iterated to all orders, which are omitted in that approximation. No one-to-one correspondence between the eigenstates of ${H}_{0}$ and those of the total Hamiltonian is appealed to, and the ground state plays no special role. The connection with statistical mechanics follows the fact that the partition function is $\mathrm{Tr}[u(\ensuremath{-}\frac{i}{\mathrm{kT}})]$. The theory simplifies greatly for very large $N$.

Physical Review•Nov 15, 1958•3 citations
We propose a method to construct the ground state \ensuremath{\psi}(\ensuremath{\lambda}) of local lattice Hamiltonians with the generic form H0{\mathit{H}}_{0}H0​+\ensuremath{\lambda}H1{\mathit{H}}_{1}H1​, where \ensuremath{\lambda} is a coupling constant and H0{\mathit{H}}_{0}H0​ is a Hamiltonian with a nondegenerate ground state \ensuremathψ0{\mathrm{\ensuremath{\psi}}}_{0}\ensuremathψ0​. The method is based on the choice of an exponential ansatz \ensuremath{\psi}(\ensuremath{\lambda})=exp[U(\ensuremath{\lambda})]\ensuremathψ0{\mathrm{\ensuremath{\psi}}}_{0}\ensuremathψ0​, which is a sort of generalized lattice version of a Jastrow wave function. We combine perturbative and variational techniques to get successive approximations of the operator U(\ensuremath{\lambda}). Perturbation theory is used to set up a variational method which in turn produces nonperturbative results. The computation with this kind of ansatz leads us to associate to the original quantum-mechanical problem a statistical-mechanical system defined in the same spatial dimension. In some cases these statistical-mechanical systems turn out to be integrable, which allows us to obtain exact upper bounds to the energy. The general ideas of our method are illustrated in the example of the Ising model in a transverse field.
A systematic nonperturbative scheme is developed to calculate the ground-state expectation values of arbitrary operators for any Hamiltonian system. Quantities computed in this way converge rapidly to their true expectation values. The method is based upon the use of the operator ${e}^{\ensuremath{-}tH}$ to contract any trial state onto the true ground state of the Hamiltonian HHH. We express all expectation values in the contracted state as a power series in ttt, and reconstruct $t\ensuremath{\rightarrow}\ensuremath{\infty}$ behavior by means of Pad\'e approximants. The problem associated with factors of spatial volume is taken care of by developing a connected graph expansion for matrix elements of arbitrary operators taken between arbitrary states. We investigate Pad\'e methods for the ttt series and discuss the merits of various procedures. As examples of the power of this technique we present results obtained for the Heisenberg and Ising models in 1+1 dimensions starting from simple mean-field wave functions. The improvement upon mean-field results is remarkable for the amount of effort required. The connection between our method and conventional perturbation theory is established, and a generalization of the technique which allows us to exploit off-diagonal matrix elements is introduced. The bistate procedure is used to develop a ttt expansion for the ground-state energy of the Ising model which is, term by term, self-dual.
In the context of the Hamiltonian variational approach we propose a systematic method for the improvement of any given trial wave function. The approach has many similarities with the Lanczos scheme and it may be used for quantum-mechanical problems as well as field-theory and statistical-mechanics systems. We apply the method to the Mathieu equation and to the Ising one-dimensional model in a finite lattice. The agreement between our results and the exact ones is excellent in the whole range of parameters. We also briefly discuss the application of these ideas to lattice gauge theories and the similarities with other recently proposed methods.
Quantum Averages and Statistical Samplings In this chapter, we discuss the general framework in which the variational Monte Carlo methods are defined and few important implementations for interacting systems of bosons and fermions on the lattice. The main advantage of considering this approach relies on the variational principle that has been shown in section 1.4: the energy of a given quantum state is always bounded from below by the exact ground-state one, giving us the route to obtain the best possible solution to the problem. In most cases, a suitable parametrization of the variational wave function allows us to consider a wide range of different quantum phases (e.g., metals, superconductors, and insulators). By performing an optimization of the parameters, we can reach the lowest-energy state, which is expected to capture the correct ground-state behavior. Therefore, variational wave functions represent a flexible and valuable approach to get important insights into the low-energy properties of models that cannot be solved by exact methods. By contrast, the main limitation of this approach is the fact that it is based on a given Ansatz , which may contain a relevant bias that cannot be removed within the chosen parametrization. We also mention that variational wave functions can be easily defined and treated for a wide class of models, irrespective of the range of interactions and the dimension of the local (i.e., single-site) Hilbert space, which can be even infinite and does not need the use of an uncontrolled cutoff to work with a finite-dimensional space. In this respect, variational Monte Carlo is better than other methods, like densitymatrix renormalization group or tensor-network methods in which the complexity dramatically increases with both the range of the interaction and the dimension of the local Hilbert space (White, 1992; Schollwöck, 2005, 2011). Let us start by describing the general framework in which variational Monte Carlo methods are defined. First of all, we fix a complete basis set in the Hilbert space, in which (for simplicity) the states are taken to be orthogonal and normalized such that: Then, any quantum state can be written as: In turn, the expectation value of an operator over a given variational wave function takes the following form: The main problem in evaluating the expectation value is that the number of configurations in the sum is exponentially large with the number of particles.
We develop a variational framework for addressing two-dimensional non-integrable quantum field theories through the exact structure of their integrable counterparts. Concentrating on the φ4\varphi^4φ4 Landau-Ginzburg model, we use the analytical Vacuum Expectation Values and Form Factors of local operators in the sinh-Gordon theory as the foundation of a variational ansatz. In this way, we obtain controlled estimates of central physical quantities of the φ4\varphi^4φ4 theory - such as the finite-volume ground-state energy and the physical mass as a function of the coupling constant. The strengths of the variational methods are leveraged in combination with the Hamiltonian truncation techniques and the LeClair-Mussardo formula, which also allow to probe the accuracy of the variational approximation varying the system size. Within the weak-coupling regime, a detailed numerical analysis reveals the behaviour of the finite-volume spectrum, the ground-state energy, and the elastic part of the scattering matrix, showing how the rigorous machinery of integrable models can serve as a guiding light into the complex landscape of non-integrable quantum field dynamics.
A perturbation treatment is presented for the operator u(t)u(t)u(t) giving the evolution of the state vector of a system of NNN particles coupled by 2-body forces. The total Hamiltonian is divided into a diagonal part H0{H}_{0}H0​ and off-diagonal part H1{H}_{1}H1​ in the representation with NNN-particle plane-wave states as basis. An effective pair-interaction operator H‾1{\overline{H}}_{1}H1​ is defined which includes "vertex" corrections of all orders, and the off-diagonal part of uuu is expressed exactly by an expansion which involves only H‾1{\overline{H}}_{1}H1​ and the exact diagonal part of uuu. A closed set of equations determining H‾1{\overline{H}}_{1}H1​ and the diagonal part of uuu are obtained by retaining only the leading terms in the expansion. These equations include all the corrections included in the Brueckner approximation and, in addition, they contain 3-body effects, iterated to all orders, which are omitted in that approximation. No one-to-one correspondence between the eigenstates of H0{H}_{0}H0​ and those of the total Hamiltonian is appealed to, and the ground state plays no special role. The connection with statistical mechanics follows the fact that the partition function is $\mathrm{Tr}[u(\ensuremath{-}\frac{i}{\mathrm{kT}})]$. The theory simplifies greatly for very large NNN.