(1s 2 2s 2 2p 4 3s 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 9.311384 | .03063028 |
| 2 | 2s | 2.215605 | -.14123766 |
| 3 | 3s | .838108 | .81211630 |
| 4 | 5s | .789573 | .20451217 |
| 5 | 4s | 5.891634 | -.02961622 |
| 6 | 5s | 10.607939 | -.00605751 |
| 7 | 4s | 25.309809 | .00012986 |
| 8 | 2s | 12.299351 | .00288651 |
| 9 | 4s | .583279 | .06155468 |
| ORB.ENERGY,a.u. | -.157360 | ||
| NORM | 1.000000 | < R > | 4.888358 | < R2 > | 27.561054 | < 1/R > | .251974 | < 1/R**2 > | .236215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.220923 | .67097660 |
| 2 | 2p | 3.942450 | .31377425 |
| 3 | 2p | 9.746065 | .01640518 |
| 4 | 3p | 1.620815 | .05898133 |
| 5 | 4p | 9.361099 | .01435864 |
| 6 | 4p | .763688 | -.07348856 |
| 7 | 3p | 12.197047 | .00356031 |
| 8 | 5p | .902536 | .04776791 |
| 9 | 3p | .595138 | .02279993 |
| ORB.ENERGY,a.u. | -.909920 | ||
| NORM | 1.000000 | < R > | .972018 | < R2 > | 1.201482 | < 1/R > | 1.375644 | < 1/R**2 > | 2.724894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.539050 | .30013959 |
| 2 | 2s | 3.223863 | -.84843014 |
| 3 | 3s | 2.197388 | -.35607065 |
| 4 | 4s | 11.015948 | .01116129 |
| 5 | 3s | 11.801548 | .00831394 |
| 6 | 5s | 2.557275 | .09488053 |
| 7 | 4s | 1.008040 | .00620102 |
| 8 | 5s | 42.265363 | -.00005228 |
| 9 | 3s | .584688 | .00466529 |
| 10 | 2s | 66.572518 | .00000400 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .958041 | < R2 > | 1.100898 | < 1/R > | 1.506469 | < 1/R**2 > | 9.328193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.241042 | .87523543 |
| 2 | 1s | 12.240913 | .12044820 |
| 3 | 1s | 2.634592 | -.00140825 |
| 4 | 2s | 6.230705 | .01806938 |
| 5 | 3s | 9.220226 | -.00693748 |
| 6 | 4s | 16.772966 | .00377456 |
| 7 | 5s | 64.756345 | -.00001602 |
| 8 | 5s | 4.924461 | .00113116 |
| 9 | 5s | 1.093811 | -.00032407 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175673 | < R2 > | .041568 | < 1/R > | 8.632344 | < 1/R**2 > | 150.884223 |
Total Energy= -98.99370601 a.u.
Kinetic Energy= 98.98897575 a.u.
Potential Energy= -197.98268176 a.u.
Virial Ratio = -2.00004779