(1s 2 2s 2 2p 2 4p 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 1.486286 | .04911934 |
| 2 | 3p | .333049 | -1.84149184 |
| 3 | 4p | .348116 | 2.12732201 |
| 4 | 5p | .962814 | -.07436040 |
| 5 | 2p | 4.116347 | .00849856 |
| 6 | 5p | .307937 | .37284871 |
| 7 | 5p | 6.238691 | .00174698 |
| ORB.ENERGY,a.u. | -.044246 | ||
| NORM | .999996 | < R > | 16.102891 | < R2 > | 293.300235 | < 1/R > | .079529 | < 1/R**2 > | .011610 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.757770 | .71782124 |
| 2 | 2p | 2.974782 | .28212721 |
| 3 | 3p | 1.368230 | .02796306 |
| 4 | 2p | 7.097108 | .01839489 |
| 5 | 3p | .527358 | -.01478403 |
| 6 | 5p | 17.819698 | .00044506 |
| 7 | 4p | .296563 | .02139906 |
| 8 | 4p | 7.090970 | .00968965 |
| 9 | 4p | 27.693916 | .00011010 |
| ORB.ENERGY,a.u. | -.952640 | ||
| NORM | 1.000000 | < R > | 1.243679 | < R2 > | 2.004390 | < 1/R > | 1.057655 | < 1/R**2 > | 1.584352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.902085 | .28581362 |
| 2 | 2s | 2.450194 | -.83276163 |
| 3 | 3s | 1.981912 | -.26771034 |
| 4 | 4s | 8.398792 | .02210592 |
| 5 | 3s | 10.315188 | .00667808 |
| 6 | 5s | 2.799538 | -.01273304 |
| 7 | 5s | 16.594064 | .00089080 |
| 8 | 3s | .912307 | -.00046261 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253341 | < R2 > | 1.875867 | < 1/R > | 1.140381 | < 1/R**2 > | 5.282807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229929 | .71791852 |
| 2 | 1s | 9.301900 | .22517254 |
| 3 | 1s | 2.656377 | .00486884 |
| 4 | 2s | 6.903969 | .08340142 |
| 5 | 3s | 7.777381 | -.02158257 |
| 6 | 4s | 12.680798 | .00688899 |
| 7 | 5s | 28.044521 | .00017123 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228089 | < R2 > | .070097 | < 1/R > | 6.656647 | < 1/R**2 > | 89.909346 |
Total Energy= -53.93348449 a.u.
Kinetic Energy= 53.93224910 a.u.
Potential Energy= -107.86573360 a.u.
Virial Ratio = -2.00002291