(1s 2 2s 2 2p 1 4d 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | 3.029639 | 1.52256486 |
| 2 | 4d | 2.738641 | -2.02563515 |
| 3 | 3d | 7.451847 | .02822383 |
| 4 | 5d | 2.268579 | .00253439 |
| 5 | 4d | 16.319021 | -.00082574 |
| 6 | 5d | 10.470020 | -.00781403 |
| ORB.ENERGY,a.u. | -3.812100 | ||
| NORM | 1.000000 | < R > | 1.885805 | < R2 > | 4.074074 | < 1/R > | .702618 | < 1/R**2 > | .806316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.674621 | 1.08130408 |
| 2 | 3p | 8.284145 | -.09633877 |
| 3 | 2p | 15.542265 | .01377523 |
| 4 | 5p | 17.238873 | .00323557 |
| 5 | 4p | 33.168186 | -.00049040 |
| 6 | 5p | 6.004373 | .00262244 |
| 7 | 5p | 106.270184 | -.00000812 |
| ORB.ENERGY,a.u. | -19.958000 | ||
| NORM | 1.000000 | < R > | .367241 | < R2 > | .163196 | < 1/R > | 3.439878 | < 1/R**2 > | 15.997501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.766813 | .37873906 |
| 2 | 2s | 6.106424 | -.81181986 |
| 3 | 3s | 8.823753 | -.28373307 |
| 4 | 4s | 29.951289 | .00121757 |
| 5 | 5s | 17.203619 | -.00999341 |
| 6 | 5s | 6.754340 | .01756371 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424493 | < R2 > | .210809 | < 1/R > | 3.459471 | < 1/R**2 > | 48.390331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176073 | .93704973 |
| 2 | 1s | 24.030694 | .06043502 |
| 3 | 2s | 14.592976 | .02459979 |
| 4 | 3s | 23.095006 | -.00901900 |
| 5 | 4s | 19.362624 | -.01168747 |
| 6 | 5s | 40.553015 | .00067853 |
| 7 | 5s | 9.386666 | .00006288 |
| 8 | 3s | 65.029968 | -.00005008 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012436 | < 1/R > | 15.647420 | < 1/R**2 > | 492.754025 |
Total Energy= -320.26181862 a.u.
Kinetic Energy= 320.19537013 a.u.
Potential Energy= -640.45718875 a.u.
Virial Ratio = -2.00020752