Related papers: A Supersymmetric Approach to Excited States via Qu…
We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states. The method has no free parameters and requires no explicit…
We employ quantum Monte Carlo to obtain chemically accurate vertical and adiabatic excitation energies, and equilibrium excited-state structures for the small, yet challenging, formaldehyde and thioformaldehyde molecules. A key ingredient…
We show that the recently developed phaseless auxiliary-field quantum Monte Carlo (AFQMC) method can be used to study excited states, providing an alternative to standard quantum chemistry methods. The phaseless AFQMC approach, whose…
We present an exact Monte Carlo algorithm designed to sample theories where the energy is a sum of many couplings of decreasing strength. Our algorithm, simplified from that of L. Lin et al. hep-lat/9905033, avoids the computation of almost…
We present a discussion of recent progress in excited-state-specific quantum chemistry and quantum Monte Carlo alongside a demonstration of how a combination of methods from these two fields can offer reliably accurate excited state…
Supersymmetry (SUSY) in non-relativistic quantum mechanics (QM) is applied to a 2-dimensional physical system: a neutron in an external magnetic field. The superpotential and the two-component wave functions of the ground state are found…
We present in detail the recently developed multi-configurational symmetrized projector quantum Monte Carlo (MSPQMC) method for excited states of the Hubbard model. We describe the implementation of the Monte Carlo method for a…
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…
A quantum Monte Carlo method is introduced to optimize excited state trial wavefunctions. The method is applied in a correlation function Monte Carlo calculation to compute ground and excited state energies of bosonic van der Waals clusters…
A variational Monte Carlo method is used to generate sets of orthogonal trial functions, Psi_T(J^pi,T), for given quantum numbers in various light p-shell nuclei. These Psi_T are then used as input to Green's function Monte Carlo…
We demonstrate that Monte-Carlo simulation is a practical tool to study nonperturbative aspects of supersymmetric quantum mechanics. As an example we study D0-brane quantum mechanics in the context of superstring theory. Numerical data…
We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method, in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. We consider two quantum…
Quantum Monte Carlo (QMC) methods have proven to be highly accurate for computing excited states, but the choice of optimization strategies for multiple states remains an active topic of investigation. In this work, we revisit the…
By introducing the shape invariant Lie algebra spanned by the SUSY ladder operators plus the unity operator, a new basis is presented for the quantum treatment of the one-dimensional Morse potential. In this discrete, complete orthonormal…
We develop a quantum Monte Carlo method for many fermions that allows the use of any one-particle basis. It projects out the ground state by random walks in the space of Slater determinants. An approximate approach is formulated to control…
Extending the supersymmetric method proposed by Tkachuk to the complex domain, we obtain general expressions for superpotentials allowing generation of quasi-exactly solvable PT-symmetric potentials with two known real eigenvalues (the…
Recent experiments have shown that rising the temperature of a dipolar gas under certain conditions leads to a transition to a supersolid state. Here, we employ the path integral Monte Carlo method, which exactly accounts for both thermal…
The Quantum-Monte-Carlo technique known as the Stochastic Series Expansion (SSE) relies on a crucial no-branching condition: the SSE sampling is carried out in the computational basis, and the no-branching assumption ensures that…
Quantum Monte Carlo (QMC) methods can very accurately compute ground state properties of quantum systems. We applied these methods to a system of boson hard spheres to get exact, infinite system size results for the ground state at several…
It is shown by analyzing the $1D$ Schr\"odinger equation that discontinuities in the coupling constant can occur in both the energies and the eigenfunctions. Surprisingly, those discontinuities, which are present in the energies {\it…