期刊
PHYSICAL REVIEW A
卷 93, 期 2, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.93.023434
关键词
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资金
- Japan Society for the Promotion of Science (JSPS) KAKENHI [25286064, 26390076, 26600111, 26-10100]
- Photon Frontier Network Program of the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan
- Advanced Integration Science Innovation Education and Research Consortium Program of MEXT
- Center of Innovation Program from Japan Science and Technology Agency (JST)
- Core Research for Evolutional Science and Technology, Japan Science and Technology Agency (CREST, JST)
- Graduate School of Engineering, The University of Tokyo, Doctoral Student Special Incentives Program (SEUT Fellowship)
- Grants-in-Aid for Scientific Research [26390076, 14J10100, 26600111] Funding Source: KAKEN
We report a three-dimensional numerical implementation of the multiconfiguration time-dependent Hartree-Fock method based on a multiresolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully compute high-harmonic generation of H-2 and H2O. The present implementation will open a way to the first-principles theoretical study of intense-field- and attosecond-pulse-induced ultrafast phenomena in general molecules.
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