| Project/Area Number |
24655023
|
|---|
| Research Category |
Grant-in-Aid for Challenging Exploratory Research
|
| Allocation Type | Single-year Grants |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | Quantum Chemistry Research Institute |
|---|
Principal Investigator |
KUROKAWA Yusaku 特定非営利活動法人量子化学研究協会, 研究所, 研究員 (30590731)
|
|---|
| Project Period (FY) |
2012-04-01 – 2014-03-31
|
| Project Status |
Completed (Fiscal Year 2013)
|
| Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2012: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
|
|---|
| Keywords | ディラック方程式 / 一般化近接条件 / 発散点 / Free Complement / Free Complement法 / 正確な解法 |
|---|
| Research Abstract |
The Dirac Equation (DE) is one of the most important equations in the relativistic quantum chemistry. The DE for one electron systems is composed of four components. If we can remain only the electron states and annihilate the positron states from the DE, it becomes less complex equation. In this study, we annihilated the positron states from the DEs of the hydrogen-like atoms and hydrogen molecular ion. The annihilated equations were exactly solved with the Free Complement method. We have derived the General Coalescence Conditions, which is the necessary conditions for wavefunctions when two particles come close with each other.
|
