Solving Schrodinger Equation with Soft Constrained Monotonic Neural Network

Artificial Neural Network(ANN)has become a powerful tool in the field of scientific research with its powerful information encapsulation ability and convenient variational optimization method.In particular,there have been many recent advances in computational physics to solve variational problems.Deep Neural Network(DNN)is used to represent the wave function to solve quantum many-body problems using variational optimization.In this work we used a new Physics-Informed Neural Network(PINN)to represent the Cumulative Distribution Function(CDF)of some classical problems in quantum mechanics and to obtain their ground state wave function and ground state energy through the CDF.By benchmarking against the exact solution,the error of the results can be controlled at a very low level.This new network architecture and optimization method can provide a new choice for solving quantum many-body problems.

Solving Schrodinger equations using a physically constrained neural network

Deep neural networks(DNNs)and auto differentiation have been widely used in computational physics to solve variational problems.When a DNN is used to represent the wave function and solve quantum many-body problems using variational optimization,various physical constraints have to be injected into the neural network by construction to increase the data and learning efficiency.We build the unitary constraint to the variational wave function using a monotonic neural network to represent the cumulative distribution function(CDF)F(x)=ʃ^(x)_(-∞)Ψ*Ψdx',.Using this constrained neural network to represent the variational wave function,we solve Schrodinger equations using auto-differentiation and stochastic gradient descent(SGD)by minimizing the violation of the trial wave function(x)to the Schrodinger equation.For several classical problems in quantum mechanics,we obtain their ground state wave function and energy with very low errors.The method developed in the present paper may pave a new way for solving nuclear many-body problems in the future.