(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 2 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 20.841458 | .00524560 |
| 2 | 2s | 4.780171 | -.04821108 |
| 3 | 3s | 2.315539 | .07354451 |
| 4 | 4s | .900262 | -.21009695 |
| 5 | 5s | .367209 | .44089567 |
| 6 | 3s | .471102 | -1.94911337 |
| 7 | 2s | .271900 | 2.05120915 |
| 8 | 2s | 16.166385 | .00696417 |
| 9 | 5s | 49.827378 | -.00003473 |
| ORB.ENERGY,a.u. | -.177840 | ||
| NORM | 1.000002 | < R > | 14.905020 | < R2 > | 249.524726 | < 1/R > | .086467 | < 1/R**2 > | .045195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.098926 | .26375309 |
| 2 | 2p | 1.055381 | -.92218010 |
| 3 | 3p | 1.997739 | -.28172672 |
| 4 | 2p | 8.116277 | .08563007 |
| 5 | 4p | 1.214928 | .16273268 |
| 6 | 3p | 12.331326 | -.00451315 |
| 7 | 4p | 29.992334 | -.00014268 |
| 8 | 5p | .372252 | -.00041344 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.132522 | < R2 > | 5.300939 | < 1/R > | .618279 | < 1/R**2 > | .842511 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.132963 | 1.75090932 |
| 2 | 1s | 14.040701 | .04383519 |
| 3 | 2s | 5.148496 | -.89404869 |
| 4 | 3s | 1.098774 | -.12258245 |
| 5 | 4s | 4.098852 | -.30148752 |
| 6 | 5s | 6.602929 | -.11744015 |
| 7 | 4s | 1.037021 | .02385360 |
| 8 | 3s | 45.120891 | -.00035047 |
| 9 | 4s | 65.061729 | .00011186 |
| 10 | 5s | .371353 | .00605520 |
| 11 | 2s | 127.778538 | -.00000458 |
| 12 | 2s | .222410 | -.00390996 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.846840 | < R2 > | 3.931438 | < 1/R > | .725401 | < 1/R**2 > | 2.972926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372749 | .42807680 |
| 2 | 3p | 6.500503 | .49503210 |
| 3 | 2p | 20.147929 | .00249390 |
| 4 | 4p | 5.239884 | .18071241 |
| 5 | 5p | 4.031162 | .01287760 |
| 6 | 3p | 38.610297 | .00006438 |
| 7 | 4p | 83.708355 | -.00000232 |
| 8 | 3p | 1.604022 | .00089519 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483370 | < R2 > | .291787 | < 1/R > | 2.706552 | < 1/R**2 > | 10.286137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194593 | .35988285 |
| 2 | 2s | 5.437911 | -.77666711 |
| 3 | 3s | 4.856869 | -.17146408 |
| 4 | 4s | 23.635259 | .00226632 |
| 5 | 2s | 6.760224 | -.17609729 |
| 6 | 3s | 15.376428 | .00817194 |
| 7 | 5s | 4.023901 | -.00309759 |
| 8 | 4s | 1.961336 | -.00023831 |
| 9 | 5s | 48.267930 | .00005394 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515313 | < R2 > | .315437 | < 1/R > | 2.833498 | < 1/R**2 > | 33.095247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.411931 | -.00021591 |
| 2 | 1s | 14.570410 | 1.01425892 |
| 3 | 2s | 21.105358 | -.02188131 |
| 4 | 3s | 11.321543 | .01689844 |
| 5 | 4s | 20.110224 | -.00094969 |
| 6 | 5s | 17.686084 | .00342831 |
| 7 | 5s | 62.484089 | -.00003184 |
| 8 | 4s | 12.074665 | -.00660204 |
| 9 | 2s | 54.223738 | .00013070 |
| 10 | 3s | 7.509918 | .00141289 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573872 | < 1/R**2 > | 428.620755 |
Total Energy= -340.40198721 a.u.
Kinetic Energy= 340.40058079 a.u.
Potential Energy= -680.80256800 a.u.
Virial Ratio = -2.00000413