2015 Fiscal Year Final Research Report
Development of an accurate relativistic molecular theory toward the search for electron's electric dipole moment
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 |
Research Field |
Physical chemistry
|
Research Institution | Tokyo Metropolitan University |
Principal Investigator |
Abe Minori 首都大学東京, 理工学研究科, 助教 (60534485)
|
Project Period (FY) |
2013-04-01 – 2016-03-31
|
Keywords | 電子EDM / 相対論量子化学 / CP対称性 |
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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Free Research Field |
理論化学
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