(1s 2 2s 2 2p 1 5p 1 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2p | 2.624621 | .29708126 |
| 2 | 3p | 1.530456 | -2.72424362 |
| 3 | 4p | 1.271536 | 7.33167477 |
| 4 | 5p | 1.262439 | -5.76191384 |
| 5 | 2p | 6.965496 | .02086957 |
| 6 | 5p | 1.916655 | .15245683 |
| 7 | 5p | 25.145563 | -.00027837 |
| 8 | 4p | 41.604917 | -.00003500 |
| ORB.ENERGY,a.u. | -.783870 | ||
| NORM | 1.000002 | < R > | 5.577571 | < R2 > | 34.974857 | < 1/R > | .241710 | < 1/R**2 > | .144698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.099023 | .94228672 |
| 2 | 3p | .960104 | -.26835333 |
| 3 | 2p | 8.610534 | .06902541 |
| 4 | 5p | 5.272878 | -.01000114 |
| 5 | 5p | 1.689749 | .26093651 |
| 6 | 4p | 9.530731 | .02378090 |
| 7 | 3p | 25.440466 | .00008927 |
| 8 | 4p | .636582 | .00358317 |
| 9 | 5p | 40.835645 | .00004398 |
| 10 | 4p | 27.711747 | -.00016187 |
| 11 | 5p | .386580 | -.00022721 |
| ORB.ENERGY,a.u. | -7.403800 | ||
| NORM | 1.000000 | < R > | .592620 | < R2 > | .518914 | < 1/R > | 2.194206 | < 1/R**2 > | 6.557497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.716838 | .33595160 |
| 2 | 2s | 3.812413 | -.79541042 |
| 3 | 3s | 5.828928 | -.27465109 |
| 4 | 4s | 20.834830 | .00167138 |
| 5 | 5s | 11.422111 | -.01545557 |
| 6 | 5s | 4.302264 | .02240735 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657469 | < R2 > | .506898 | < 1/R > | 2.211146 | < 1/R**2 > | 19.808637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213479 | .92162689 |
| 2 | 1s | 15.994831 | .08117308 |
| 3 | 2s | 8.713242 | .01667881 |
| 4 | 3s | 11.306911 | -.01629367 |
| 5 | 4s | 53.799878 | -.00008859 |
| 6 | 5s | 25.241165 | .00098779 |
| 7 | 4s | 3.041776 | .00002375 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141864 | < R2 > | .027004 | < 1/R > | 10.652835 | < 1/R**2 > | 229.023283 |
Total Energy= -143.23635489 a.u.
Kinetic Energy= 143.23000666 a.u.
Potential Energy= -286.46636155 a.u.
Virial Ratio = -2.00004432