(1s 2 2s 1 3p 1 ) 3 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 1.870435 | .81928505 |
| 2 | 3p | 1.402536 | -1.41645599 |
| 3 | 2p | 5.638810 | .03189095 |
| 4 | 4p | 5.897447 | .01600917 |
| 5 | 5p | 3.458864 | -.03108952 |
| 6 | 2p | 37.226539 | -.00000262 |
| ORB.ENERGY,a.u. | -.985910 | ||
| NORM | 1.000001 | < R > | 2.815252 | < R2 > | 9.112971 | < 1/R > | .493003 | < 1/R**2 > | .513539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.848499 | .34912148 |
| 2 | 2s | 2.657722 | -.85869610 |
| 3 | 3s | 3.233771 | -.24314944 |
| 4 | 4s | 7.317786 | .02592372 |
| 5 | 3s | 8.170064 | .02328059 |
| 6 | 5s | 2.586680 | -.01784174 |
| 7 | 4s | 3.304134 | -.00611486 |
| 8 | 5s | 26.481859 | -.00027911 |
| 9 | 4s | 39.327336 | -.00006892 |
| ORB.ENERGY,a.u. | -3.160500 | ||
| NORM | 1.000000 | < R > | 1.062671 | < R2 > | 1.320257 | < 1/R > | 1.356563 | < 1/R**2 > | 7.432194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.265900 | .88919262 |
| 2 | 1s | 9.914899 | .11757263 |
| 3 | 2s | 4.160673 | .02051466 |
| 4 | 3s | 6.650910 | -.02215367 |
| 5 | 4s | 12.483114 | .00437113 |
| 6 | 5s | 5.802452 | -.00483750 |
| 7 | 5s | 43.539438 | -.00005157 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227082 | < R2 > | .069340 | < 1/R > | 6.675426 | < 1/R**2 > | 90.304760 |
Total Energy= -49.30677211 a.u.
Kinetic Energy= 49.31263625 a.u.
Potential Energy= -98.61940835 a.u.
Virial Ratio = -1.99988108