(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 5p | 2.094063 | -.10214401 |
| 2 | 4p | 1.037055 | 1.32364123 |
| 3 | 5p | .772417 | -1.58482653 |
| 4 | 3p | 2.173858 | -.21891581 |
| 5 | 2p | 10.399152 | .00826793 |
| 6 | 2p | 5.035407 | .04590711 |
| 7 | 4p | 13.587868 | .00110217 |
| ORB.ENERGY,a.u. | -.275090 | ||
| NORM | 1.000000 | < R > | 7.960935 | < R2 > | 70.653283 | < 1/R > | .155983 | < 1/R**2 > | .054295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.613170 | .33554313 |
| 2 | 2p | 1.568861 | -.49549948 |
| 3 | 3p | 2.203203 | -.64414632 |
| 4 | 2p | 8.993574 | .09421871 |
| 5 | 3p | 14.414871 | -.00339641 |
| 6 | 4p | 1.113472 | .12540924 |
| 7 | 5p | .768100 | -.13487104 |
| 8 | 4p | 32.034825 | -.00013288 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.685199 | < R2 > | 3.614617 | < 1/R > | .807697 | < 1/R**2 > | 1.442003 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.958622 | -.41610392 |
| 2 | 1s | 11.414851 | .19988175 |
| 3 | 1s | 51.526550 | .00014407 |
| 4 | 2s | 5.308426 | -.15613721 |
| 5 | 3s | 2.530788 | 1.02981910 |
| 6 | 4s | 4.466735 | .08722481 |
| 7 | 3s | 32.819652 | -.00063180 |
| 8 | 5s | 2.394846 | .10446407 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.542428 | < R2 > | 2.712862 | < 1/R > | .877108 | < 1/R**2 > | 4.456739 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.496787 | .00327935 |
| 2 | 2p | 8.914289 | .44644827 |
| 3 | 3p | 6.902444 | .50706500 |
| 4 | 5p | 3.911708 | .00489018 |
| 5 | 4p | 5.531052 | .14862607 |
| 6 | 5p | 30.150671 | -.00020581 |
| 7 | 4p | 34.144415 | -.00017425 |
| 8 | 3p | 1.376793 | .00015877 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440045 | < R2 > | .240791 | < 1/R > | 2.959334 | < 1/R**2 > | 12.237247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010092 | .36726544 |
| 2 | 2s | 6.304878 | -.76623648 |
| 3 | 3s | 5.326066 | -.16180995 |
| 4 | 4s | 23.814624 | .00247496 |
| 5 | 2s | 5.337563 | -.19451183 |
| 6 | 3s | 17.704319 | .00547858 |
| 7 | 4s | 3.689826 | -.00174215 |
| 8 | 5s | 46.064073 | .00011758 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474395 | < R2 > | .266753 | < 1/R > | 3.081493 | < 1/R**2 > | 39.091027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554867 | 1.01450072 |
| 2 | 2s | 20.546552 | -.02542402 |
| 3 | 3s | 12.088453 | .02045887 |
| 4 | 4s | 16.288646 | -.00018718 |
| 5 | 4s | 31.381896 | .00163452 |
| 6 | 2s | 66.441885 | .00001881 |
| 7 | 5s | 14.503082 | -.00547654 |
| 8 | 3s | 6.590212 | .00045231 |
| 9 | 4s | 3.605295 | -.00001414 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097136 | < R2 > | .012682 | < 1/R > | 15.567997 | < 1/R**2 > | 488.881167 |
Total Energy= -395.34994000 a.u.
Kinetic Energy= 395.35226772 a.u.
Potential Energy= -790.70220771 a.u.
Virial Ratio = -1.99999411