(1s 2 2s 2 2p 1 4d 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 3.235331 | 1.25764620 |
| 2 | 4d | 2.730265 | -1.76678222 |
| 3 | 3d | 7.155079 | .03027298 |
| 4 | 4d | 25.001089 | .00027184 |
| 5 | 5d | 2.175265 | .01657834 |
| 6 | 3d | 1.537319 | -.00867783 |
| 7 | 5d | 15.481755 | .00171747 |
| 8 | 3d | 35.136187 | .00002978 |
| ORB.ENERGY,a.u. | -3.864300 | ||
| NORM | 1.000000 | < R > | 1.858599 | < R2 > | 3.956288 | < 1/R > | .713609 | < 1/R**2 > | .836795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.652869 | 1.08593366 |
| 2 | 3p | 8.238359 | -.10031670 |
| 3 | 5p | 95.368246 | -.00001200 |
| 4 | 4p | 5.392612 | .00179528 |
| 5 | 2p | 15.485860 | .01404650 |
| 6 | 5p | 17.832340 | .00257332 |
| 7 | 4p | 31.842367 | -.00056465 |
| 8 | 4p | 3.422468 | -.00043962 |
| ORB.ENERGY,a.u. | -20.010000 | ||
| NORM | 1.000000 | < R > | .367837 | < R2 > | .163700 | < 1/R > | 3.434466 | < 1/R**2 > | 15.950647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761665 | .37893803 |
| 2 | 2s | 6.112315 | -.81156825 |
| 3 | 3s | 8.819182 | -.28396820 |
| 4 | 4s | 29.783331 | .00127395 |
| 5 | 5s | 17.217384 | -.00973657 |
| 6 | 5s | 6.737818 | .01690731 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424500 | < R2 > | .210816 | < 1/R > | 3.459375 | < 1/R**2 > | 48.387325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.171753 | .93435387 |
| 2 | 1s | 23.653673 | .06347831 |
| 3 | 2s | 13.963906 | .02426981 |
| 4 | 3s | 22.679309 | -.00902056 |
| 5 | 4s | 18.701202 | -.01183083 |
| 6 | 5s | 41.658490 | .00076977 |
| 7 | 3s | 76.323523 | -.00002872 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647498 | < 1/R**2 > | 492.757979 |
Total Energy= -320.26320121 a.u.
Kinetic Energy= 320.24764926 a.u.
Potential Energy= -640.51085047 a.u.
Virial Ratio = -2.00004856