Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo

نویسندگان

چکیده

Inspired by the universal approximation theorem and widespread adoption of artificial neural network techniques in a diversity fields, we propose feed-forward networks as general purpose trial wave function for quantum Monte Carlo simulations continous many-body systems. Whereas simple model systems whole can be represented network, antisymmetry condition non-trivial fermionic is incorporated means Slater determinant. To demonstrate accuracy our functions, have studied an exactly solvable system two trapped interacting particles, well hydrogen dimer.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Project Time and Cost Forecasting using Monte Carlo simulation and Artificial Neural Networks

The aim of this study is to present a new method to predict project time and cost under uncertainty. Assuming that what happens in projects implementation which is expressed in the form of Earned Value Management (EVM) indicators is primarily related to the nature of randomness or unreliability, in this study, by using Monte Carlo simulation, and assuming a specific distribution for the time an...

متن کامل

Spin contamination in quantum Monte Carlo wave functions

The wave function usually employed in quantum Monte Carlo ~QMC! electronic structure calculations is the product of a Jastrow factor and a sum of products of up-spin and down-spin determinants. Typically, a different Jastrow factor is used for paralleland antiparallel-spin electrons in order to satisfy the cusp conditions and thereby ensure that the local energy at electron– electron coincidenc...

متن کامل

Generalized valence bond wave functions in quantum Monte Carlo.

We present a technique for using quantum Monte Carlo (QMC) to obtain high quality energy differences. We use generalized valence bond (GVB) wave functions, for an intuitive approach to capturing the important sources of static correlation, without needing to optimize the orbitals with QMC. Using our modifications to Walker branching and Jastrows, we can then reliably use diffusion quantum Monte...

متن کامل

Optimization of quantum Monte Carlo wave functions by energy minimization.

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 energy gradient and Hessian, using a reduced variance statistical estimator for the latter. In the linear method, the parameter variations are found by diagonali...

متن کامل

Quantum Monte Carlo with Jastrow-valence-bond wave functions.

We consider the use in quantum Monte Carlo calculations of two types of valence bond wave functions based on strictly localized active orbitals, namely valence bond self-consistent-field and breathing-orbital valence bond wave functions. Complemented by a Jastrow factor, these Jastrow-valence-bond wave functions are tested by computing the equilibrium well depths of the four diatomic molecules ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Advanced theory and simulations

سال: 2021

ISSN: ['2513-0390']

DOI: https://doi.org/10.1002/adts.202000269