(1s 2 2s 2 2p 1 4p 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 6.504750 | .26033552 |
| 2 | 3p | 3.310372 | -.99422505 |
| 3 | 5p | 3.137905 | 1.40332112 |
| 4 | 4p | 4.639382 | -.24511921 |
| 5 | 5p | 8.357568 | .04358983 |
| 6 | 4p | 19.035139 | -.00322428 |
| 7 | 5p | 2.686537 | .14564007 |
| 8 | 5p | 42.468251 | -.00041207 |
| 9 | 4p | 65.750239 | -.00007943 |
| ORB.ENERGY,a.u. | -4.081800 | ||
| NORM | 1.000000 | < R > | 1.933084 | < R2 > | 4.218379 | < 1/R > | .667325 | < 1/R**2 > | .870231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.912719 | 1.04391497 |
| 2 | 3p | 3.867819 | -.14182757 |
| 3 | 2p | 24.148783 | .00371706 |
| 4 | 5p | 7.763415 | .04885253 |
| 5 | 4p | 13.066016 | -.02004094 |
| 6 | 5p | 3.037734 | .15332851 |
| 7 | 3p | 28.547244 | .00075089 |
| ORB.ENERGY,a.u. | -20.079000 | ||
| NORM | 1.000000 | < R > | .373954 | < R2 > | .202671 | < 1/R > | 3.505214 | < 1/R**2 > | 16.609835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.757106 | .37907289 |
| 2 | 2s | 6.116019 | -.81154453 |
| 3 | 3s | 8.823119 | -.28417656 |
| 4 | 4s | 29.636355 | .00141624 |
| 5 | 5s | 17.001017 | -.00922803 |
| 6 | 5s | 6.739380 | .01614497 |
| 7 | 4s | 3.031374 | .00026527 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424557 | < R2 > | .210864 | < 1/R > | 3.458858 | < 1/R**2 > | 48.375973 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.170207 | .93385001 |
| 2 | 1s | 23.762403 | .06331477 |
| 3 | 2s | 14.346611 | .02484929 |
| 4 | 3s | 23.369698 | -.00847438 |
| 5 | 4s | 19.184011 | -.01209541 |
| 6 | 5s | 41.975515 | .00069872 |
| 7 | 3s | 74.759325 | -.00002882 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096376 | < R2 > | .012440 | < 1/R > | 15.645682 | < 1/R**2 > | 492.666247 |
Total Energy= -320.45779349 a.u.
Kinetic Energy= 320.46220877 a.u.
Potential Energy= -640.92000227 a.u.
Virial Ratio = -1.99998622