Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 5, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.5020633
Keywords
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Funding
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan [25286064, 26390076, 26600111, 16H03881, 17K05070]
- Photon Frontier Network Program of MEXT
- Center of Innovation Program from the Japan Science and Technology Agency, JST
- CREST, JST [JPMJCR15N1]
- Graduate School of Engineering, the University of Tokyo, Doctoral Student Special Incentives Program (SEUT Fellowship)
- Grants-in-Aid for Scientific Research [17K05070] Funding Source: KAKEN
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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. Published by AIP Publishing.
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