(1s 2 2s 2 2p 1 ) 2 P C +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 1.553016 | .79983121 |
| 2 | 2p | 2.811008 | .28468281 |
| 3 | 3p | 5.394483 | -.03348059 |
| 4 | 4p | 1.317972 | .03545069 |
| 5 | 4p | 4.181400 | -.03919569 |
| 6 | 5p | 1.315768 | -.01015283 |
| 7 | 3p | 17.688105 | .00002605 |
| ORB.ENERGY,a.u. | -.883600 | ||
| NORM | 1.000000 | < R > | 1.471925 | < R2 > | 2.686438 | < 1/R > | .885337 | < 1/R**2 > | 1.103566 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.101997 | .27489119 |
| 2 | 2s | 2.039386 | -.84318745 |
| 3 | 3s | 1.742532 | -.24818607 |
| 4 | 4s | 6.716692 | .01984831 |
| 5 | 3s | 7.375885 | .01749548 |
| 6 | 5s | 1.986228 | -.01442207 |
| 7 | 5s | 25.361774 | -.00009854 |
| 8 | 2s | 36.120866 | .00001229 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475506 | < R2 > | 2.589264 | < 1/R > | .961170 | < 1/R**2 > | 3.716252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.339714 | .00326703 |
| 2 | 1s | 5.207767 | .71696207 |
| 3 | 1s | 8.207556 | .22601989 |
| 4 | 2s | 6.448697 | .08071344 |
| 5 | 3s | 6.769638 | -.01488561 |
| 6 | 4s | 10.909093 | .00571340 |
| 7 | 5s | 42.903591 | -.00002598 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096880 | < 1/R > | 5.668482 | < 1/R**2 > | 65.302420 |
Total Energy= -37.29222361 a.u.
Kinetic Energy= 37.29222785 a.u.
Potential Energy= -74.58445146 a.u.
Virial Ratio = -1.99999989