Method for determining relative energy between systems, and electronic device

An electronic device, comprising:

• at least one processing unit;
• and
• at least one memory, coupled to the at least one processing unit and storing an instruction for execution by the at least one processing unit, wherein the instruction, when executed by the at least one processing unit, causes the electronic device to execute actions comprising:
• for a chemical system, performing a plurality of iteration rounds using a neural network variational Monte Carlo method;
• acquiring a linear relationship between energy errors and energy variances, which are obtained in the plurality of iteration rounds;
• determining a first energy error at a position where the energy variance is zero based on the linear relationship;
• and
• determining a relative energy between the chemical system and a further system based on the first energy error.

A non-transitory computer-readable storage medium, storing a computer program thereon, wherein the program, when executed by a processor, implements a method comprising:

• for a chemical system, performing a plurality of iteration rounds using a neural network variational Monte Carlo method;
• acquiring a linear relationship between energy errors and energy variances, which are obtained in the plurality of iteration rounds;
• determining a first energy error at a position where the energy variance is zero based on the linear relationship;
• and
• determining a relative energy between the chemical system and a further system based on the first energy error.