Wave function optimization in the variational Monte Carlo method
By Sandro Sorella. 2005
196 citations recorded by the source corpus.
An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the various methods for the 1D Heisenberg ring and the 2D t-J model and show that, with the present scheme, very accurate and efficient calculations are possible, even for several variational parameters. Indeed, by using a very efficient statistical evaluation of the first and the second energy derivatives, it is possible to define a very rapidly converging iterative scheme that, within VMC, is much more convenient than the standard Newton method. It is also shown how to optimize simultaneously both the Jastrow and the determinantal part of the wave function.
Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics
View Paper: https://www.semanticscholar.org/paper/e40a16a7b85832593369bfc3b2a705849a267c35
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In Atomic and Molecular Physics, and Optics
- M. Fabrizio
- Iván Díaz de León Rodríguez
- D. Mihailovic
- Xiangqian Xu
- Yajie Dou
- D. Fausti
- Moritz August
- Zhexuan Zhou
In Condensed Matter Physics
- M. Fabrizio
- Iván Díaz de León Rodríguez
- D. Mihailovic
- Xiangqian Xu
- Yajie Dou
- D. Fausti
- Moritz August
- Zhexuan Zhou
Citations in the corpus
- Ultrafast optical spectroscopy of strongly correlated materials and high-temperature superconductors: a non-equilibrium approach (2016, background): “[529] An exception is the case of models defined on lattices with infinite coordination number.”
- Sustainable Queuing-Network Design for Airport Security Based on the Monte Carlo Method (2018, methodology): “Sorella [21] introduced an appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique.”
- Neural-Network Quantum States, String-Bond States, and Chiral Topological States (2017, methodology): “The Stochastic Reconfiguration method can also be viewed as an approximate imaginary-time evolution in the tangent space of the wave function.”