Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer
Journal Article
·
· Journal of Chemical Theory and Computation
- Department of Physics, Duke University, Durham, North Carolina 27708-0187, United States
- School of Mathematical Sciences, Fudan University, Shanghai 200433, China
- Department of Physics, Duke University, Durham, North Carolina 27708-0187, United States; Department of Mathematics, Duke University, Durham, North Carolina 27708-0187, United States; Department of Chemistry, Duke University, Durham, North Carolina 27708-0187, United States
Not provided.
- Research Organization:
- Duke Univ., Durham, NC (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- SC0019449
- OSTI ID:
- 1977931
- Journal Information:
- Journal of Chemical Theory and Computation, Vol. 18, Issue 8; ISSN 1549-9618
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
Similar Records
Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer
Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems
Excited State Orbital Optimization via Minimizing the Square of the Gradient: General Approach and Application to Singly and Doubly Excited States via Density Functional Theory
Journal Article
·
2022
· Journal of Chemical Theory and Computation
·
OSTI ID:1977931
Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems
Journal Article
·
2014
· Journal of Chemical Physics
·
OSTI ID:1977931
+3 more
Excited State Orbital Optimization via Minimizing the Square of the Gradient: General Approach and Application to Singly and Doubly Excited States via Density Functional Theory
Journal Article
·
2020
· Journal of Chemical Theory and Computation
·
OSTI ID:1977931