(1s 2 2s 2 2p 2 3d 1 ) 2 F Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3d- electron | |
| 1 | 3d | 1.367659 | .96429579 |
| 2 | 5d | 12.168648 | -.00020938 |
| 3 | 3d | 4.392434 | .01959472 |
| 4 | 4d | 3.031710 | .01840214 |
| 5 | 4d | 1.252272 | .01719145 |
| ORB.ENERGY,a.u. | -.907170 | ||
| NORM | 1.000000 | < R > | 2.535918 | < R2 > | 7.395861 | < 1/R > | .464985 | < 1/R**2 > | .264414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.253385 | .82306387 |
| 2 | 2p | 5.347502 | .19905717 |
| 3 | 2p | 11.411921 | .00831155 |
| 4 | 3p | 1.559691 | .01406821 |
| 5 | 4p | 3.580611 | -.00896146 |
| 6 | 5p | 23.851452 | -.00025093 |
| 7 | 5p | 1.986806 | -.00966194 |
| 8 | 4p | 94.593783 | .00000155 |
| ORB.ENERGY,a.u. | -4.056800 | ||
| NORM | 1.000000 | < R > | .699803 | < R2 > | .600257 | < 1/R > | 1.834352 | < 1/R**2 > | 4.641296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.186630 | .35145066 |
| 2 | 2s | 3.940876 | -.83774277 |
| 3 | 3s | 3.681396 | -.27699917 |
| 4 | 4s | 11.321219 | .00979481 |
| 5 | 3s | 11.993224 | .01295620 |
| 6 | 5s | 3.565190 | -.01694148 |
| 7 | 5s | 34.713255 | -.00012826 |
| 8 | 3s | 29.768018 | -.00020199 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .768742 | < R2 > | .697326 | < 1/R > | 1.882650 | < 1/R**2 > | 14.436561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.710353 | .61332490 |
| 2 | 1s | 13.272288 | .30139126 |
| 3 | 1s | 5.858240 | .00716210 |
| 4 | 2s | 10.367111 | .13441290 |
| 5 | 3s | 10.775092 | -.04339247 |
| 6 | 4s | 18.425324 | .00289929 |
| 7 | 5s | 60.966386 | -.00003966 |
| 8 | 5s | 5.847222 | .00029190 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156991 | < R2 > | .033125 | < 1/R > | 9.641356 | < 1/R**2 > | 187.882001 |
Total Energy= -121.47072125 a.u.
Kinetic Energy= 121.45076994 a.u.
Potential Energy= -242.92149119 a.u.
Virial Ratio = -2.00016427