(1s 2 2s 2 2p 6 3s 2 3p 1 ) 2 P P 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3.899280 | .31415223 |
| 2 | 2p | 1.390419 | -.73154404 |
| 3 | 3p | 1.818169 | -.37548912 |
| 4 | 2p | 7.788835 | .10951494 |
| 5 | 3p | 10.821167 | -.00887251 |
| 6 | 4p | 30.180247 | -.00045934 |
| 7 | 5p | 42.217145 | .00013514 |
| 8 | 4p | .884071 | .00065568 |
| ORB.ENERGY,a.u. | -1.081300 | ||
| NORM | 1.000000 | < R > | 1.984083 | < R2 > | 4.547023 | < 1/R > | .665376 | < 1/R**2 > | .978124 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.616563 | -.10720944 |
| 2 | 1s | 10.708762 | .18339468 |
| 3 | 1s | 50.530181 | .00012849 |
| 4 | 2s | 4.860687 | -.35475009 |
| 5 | 3s | 2.017819 | .86659904 |
| 6 | 4s | 3.338599 | .17640060 |
| 7 | 3s | 30.595100 | -.00068516 |
| 8 | 5s | 1.941283 | .04730526 |
| ORB.ENERGY,a.u. | -1.571700 | ||
| NORM | 1.000000 | < R > | 1.768337 | < R2 > | 3.577788 | < 1/R > | .758103 | < 1/R**2 > | 3.270291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.156261 | .45140451 |
| 2 | 3p | 6.277232 | .50032164 |
| 3 | 4p | 5.006666 | .15256583 |
| 4 | 5p | 3.573788 | .00601845 |
| 5 | 2p | 17.572123 | .00434179 |
| 6 | 5p | 34.657998 | -.00020333 |
| 7 | 4p | 105.652505 | .00000585 |
| 8 | 3p | 218.411702 | .00000065 |
| 9 | 4p | 1.511024 | .00019654 |
| ORB.ENERGY,a.u. | -6.198300 | ||
| NORM | 1.000000 | < R > | .482921 | < R2 > | .291144 | < 1/R > | 2.708386 | < 1/R**2 > | 10.298008 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.232147 | .35860172 |
| 2 | 2s | 5.457249 | -.77262154 |
| 3 | 3s | 4.825361 | -.17033703 |
| 4 | 4s | 19.706933 | .00553539 |
| 5 | 2s | 6.585535 | -.17853945 |
| 6 | 3s | 20.250039 | .00331799 |
| 7 | 5s | 38.773967 | .00024614 |
| 8 | 4s | 3.312351 | -.00180201 |
| 9 | 2s | 155.765095 | .00000046 |
| ORB.ENERGY,a.u. | -8.262700 | ||
| NORM | 1.000000 | < R > | .514718 | < R2 > | .314603 | < 1/R > | 2.836530 | < 1/R**2 > | 33.159875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569934 | 1.01434114 |
| 2 | 2s | 20.442743 | -.02222228 |
| 3 | 3s | 10.609285 | .01924556 |
| 4 | 4s | 57.608747 | -.00050345 |
| 5 | 4s | 10.086073 | .00285172 |
| 6 | 5s | 72.676727 | .00017657 |
| 7 | 5s | 12.453788 | -.00822494 |
| 8 | 2s | 4.299564 | .00016699 |
| 9 | 3s | 114.110550 | -.00001177 |
| 10 | 5s | 2.570854 | -.00000587 |
| ORB.ENERGY,a.u. | -80.167000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574415 | < 1/R**2 > | 428.645182 |
Total Energy= -339.64499619 a.u.
Kinetic Energy= 339.64499681 a.u.
Potential Energy= -679.28999301 a.u.
Virial Ratio = -2.00000000