| Project/Area Number |
25810007
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Physical chemistry
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| Research Institution | Tokyo Metropolitan University |
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Principal Investigator |
Abe Minori 首都大学東京, 理工学研究科, 助教 (60534485)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
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| Keywords | 電子EDM / 相対論量子化学 / CP対称性 / CP対称性破れ / S-PS相互作用 / 有効電場 / CCSD法 / Dirac法 / 4成分法 / 電子ＥＤＭ / 相対論的量子化学 |
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| Outline of Final Research Achievements |
The electric dipole moment of an electron (eEDM) is a quantity indicating the CP symmetry violation, an important phenomenon to explain the evolution of our universe. The measurement of eEDM especially in molecules attracts attention nowadays. In order to extract the eEDM value of the experimental observable, we need to calculate a quantity called the effective electric field (Eeff), which can be only obtained by the relativistic molecular electronic theory. Hence, I established a program to calculate Eeff accurately based on the four-component Dirac method and the coupled-cluster singles and doubles (CCSD) method. I applied the program to some molecules and found that the mercury halides have very large Eeff and proposed them as the new better candidates for the eEDM experiment.
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