Work

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

Year: 2018

Type: article

Abstract: Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.5020633

Authors: Takeshi Sato, Himadri Pathak, Yuki Orimo, Kenichi L. Ishikawa

Institution: The University of Tokyo

Language: English

Topic: Laser-Matter Interactions and Applications

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: Ministry of Education, Culture, Sports, Science and Technology, Japan Society for the Promotion of Science, Core Research for Evolutional Science and Technology, Center of Innovation Program

Awards: Ab initio simulation study on attosecond photoemission delay, Time-dependent coupled-cluster method for strong-field and attosecond science