Techniques for obtaining accurate diagonal electronic structure Hamiltonians
US12265760B2 · kind B2 · utility
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Key dates
| Filing date | Aug 10, 2018 |
| Grant date | Apr 1, 2025 |
| Priority date | — |
| Expiry date | Jul 18, 2041 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/30
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Methods, systems and apparatus for simulating a physical system described by an electronic structure Hamiltonian expressed in an orthonormal basis. In one aspect, a method includes decomposing the electronic structure Hamiltonian into a sum of sub-Hamiltonians, wherein each sub-Hamiltonian in the sum of sub-Hamiltonians is expressed in one of multiple bases; simulating evolution of the physical system using the decomposed electronic structure Hamiltonian; and using the simulated evolution of the physical system using the decomposed electronic structure Hamiltonian to determine properties of the physical system.
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