18221394. CUTOFF ENERGY DETERMINATION METHOD AND INFORMATION PROCESSING DEVICE simplified abstract (Fujitsu Limited)
Contents
- 1 CUTOFF ENERGY DETERMINATION METHOD AND INFORMATION PROCESSING DEVICE
- 1.1 Organization Name
- 1.2 Inventor(s)
- 1.3 CUTOFF ENERGY DETERMINATION METHOD AND INFORMATION PROCESSING DEVICE - A simplified explanation of the abstract
- 1.4 Simplified Explanation
- 1.5 Potential Applications
- 1.6 Problems Solved
- 1.7 Benefits
- 1.8 Potential Commercial Applications
- 1.9 Possible Prior Art
- 1.10 How does this technology compare to existing methods of electron density calculations?
- 1.11 What are the specific conditions that the electron density must meet in order to output the value of the second cutoff energy?
- 1.12 Original Abstract Submitted
CUTOFF ENERGY DETERMINATION METHOD AND INFORMATION PROCESSING DEVICE
Organization Name
Inventor(s)
CUTOFF ENERGY DETERMINATION METHOD AND INFORMATION PROCESSING DEVICE - A simplified explanation of the abstract
This abstract first appeared for US patent application 18221394 titled 'CUTOFF ENERGY DETERMINATION METHOD AND INFORMATION PROCESSING DEVICE
Simplified Explanation
The patent application describes a computer program that calculates the electron density of a substance using a self-consistent field method with a specific number of wave functions based on cutoff energy. It then refines the calculation by applying a second cutoff energy and checking if the electron density meets certain conditions.
- The process involves repeat calculation of electron density using a self-consistent field method.
- It uses a specific number of wave functions based on cutoff energy.
- A second electron density calculation is done with a smaller cutoff energy than the first.
- The electron density obtained is checked against predetermined conditions.
- The value of the second cutoff energy is outputted if the conditions are not met.
Potential Applications
This technology can be applied in various fields such as material science, quantum chemistry, and computational physics for accurate electron density calculations.
Problems Solved
This technology solves the problem of accurately determining electron density of substances using a self-consistent field method with optimized cutoff energy values.
Benefits
The benefits of this technology include improved accuracy in electron density calculations, faster computation times, and better understanding of the electronic structure of materials.
Potential Commercial Applications
One potential commercial application of this technology is in the development of new materials with specific electronic properties for various industries such as electronics, pharmaceuticals, and energy.
Possible Prior Art
One possible prior art for this technology could be previous methods of electron density calculations using self-consistent field methods with different cutoff energy values.
Unanswered Questions
How does this technology compare to existing methods of electron density calculations?
This article does not provide a comparison with existing methods of electron density calculations.
What are the specific conditions that the electron density must meet in order to output the value of the second cutoff energy?
The article does not specify the exact conditions that the electron density must satisfy for the output of the second cutoff energy value.
Original Abstract Submitted
A non-transitory computer-readable recording medium stores a program for causing a computer to execute a process, the process includes in repeat calculation of electron density of a substance by a self-consistent field method that uses a specific number of wave functions according to cutoff energy, executing a second electron density calculation at an (N+1)-th time (N is an integer greater than or equal to 1) by applying second cutoff energy of a value smaller than first cutoff energy applied to an first electron density calculation at an N-th time, determining whether the electron density obtained by the second electron density calculation at the (N+1)-th time satisfies a predetermined condition, and outputting the value of the second cutoff energy in a case where the condition is not satisfied.
