Method for determining electric polarization of solid system, and electronic device
AssigneeBeijing Youzhuju Network Technology Co., Ltd.
InventorsXiang LI, Yubing Qian, Ji Chen
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Abstract
Embodiments of the present disclosure relate to a method and an apparatus for determining an electric polarization of a solid system, an electronic device, a computer-readable storage medium, and a computer program product. The method includes: determining a wave function of the solid system by inputting electron coordinates of a periodic unit of the solid system into a neural network and by minimizing an objective function, where the objective function is determined based on an enthalpy in the presence of an electric field; and determining an electric polarizability of the solid system based on the wave function of the solid system.
Claims19
A method for determining an electric polarization of a solid system, comprising:
- determining a wave function of the solid system by inputting electron coordinates of a periodic unit of the solid system into a neural network and by minimizing an objective function, wherein the objective function is determined based on an enthalpy in the presence of an electric field;
- and
- determining an electric polarizability of the solid system based on the wave function of the solid system.
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 causes, when executed by the at least one processing unit, the electronic device to execute actions, comprising:
- determining a wave function of a solid system by inputting electron coordinates of a periodic unit of the solid system into a neural network and by minimizing an objective function, wherein the objective function is determined based on an enthalpy in the presence of an electric field;
- and
- determining an electric polarizability of the solid system based on the wave function of the solid system.
A non-transitory computer-readable storage medium, having a computer program stored thereon, wherein the program, when executed by a processor, implements a method comprising:
- determining a wave function of a solid system by inputting electron coordinates of a periodic unit of the solid system into a neural network and by minimizing an objective function, wherein the objective function is determined based on an enthalpy in the presence of an electric field;
- and
- determining an electric polarizability of the solid system based on the wave function of the solid system.
Dependencies are inferred from the claim text.