(1s 2 2s 2 2p 3 5s 1 ) 3 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 12.005230 | .06913116 |
| 2 | 2s | 4.040327 | -.45533494 |
| 3 | 3s | 2.208027 | 2.75524490 |
| 4 | 4s | 1.948157 | -5.31091930 |
| 5 | 5s | 1.728165 | 3.51405784 |
| 6 | 5s | 16.369942 | -.00320641 |
| 7 | 4s | 36.256096 | .00004999 |
| ORB.ENERGY,a.u. | -1.496200 | ||
| NORM | 1.000000 | < R > | 4.024476 | < R2 > | 18.124236 | < 1/R > | .354510 | < 1/R**2 > | 1.200857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.750852 | 1.32914766 |
| 2 | 3p | 7.306647 | -.41458491 |
| 3 | 4p | 8.867054 | .08160934 |
| 4 | 5p | 24.966031 | -.00222483 |
| 5 | 4p | 3.760226 | .00914125 |
| 6 | 4p | 31.534973 | -.00134362 |
| 7 | 5p | 3.938377 | -.00503176 |
| 8 | 3p | 2.254662 | .00003977 |
| 9 | 3p | 41.882402 | -.00014595 |
| ORB.ENERGY,a.u. | -13.352000 | ||
| NORM | 1.000000 | < R > | .423130 | < R2 > | .218323 | < 1/R > | 3.013620 | < 1/R**2 > | 12.416557 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.940006 | .35574116 |
| 2 | 2s | 5.564737 | -.79581643 |
| 3 | 3s | 8.332130 | -.25053091 |
| 4 | 4s | 24.224969 | .00334004 |
| 5 | 5s | 7.664254 | -.04774141 |
| 6 | 4s | 1.622787 | .02439024 |
| 7 | 5s | 2.201752 | -.02417821 |
| 8 | 2s | 36.717007 | -.00012312 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .477736 | < R2 > | .268489 | < 1/R > | 3.061331 | < 1/R**2 > | 38.190087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.173608 | .93196862 |
| 2 | 1s | 21.932628 | .06624786 |
| 3 | 2s | 12.596939 | .01851708 |
| 4 | 3s | 17.684231 | -.01484872 |
| 5 | 4s | 26.988187 | .00268055 |
| 6 | 5s | 46.795059 | .00017850 |
| 7 | 5s | 10.627789 | .00066944 |
| 8 | 4s | 1.925298 | .00362341 |
| 9 | 3s | 1.425677 | -.00367918 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103383 | < R2 > | .014346 | < 1/R > | 14.610682 | < 1/R**2 > | 430.290590 |
Total Energy= -306.89451676 a.u.
Kinetic Energy= 306.88497087 a.u.
Potential Energy= -613.77948763 a.u.
Virial Ratio = -2.00003111