(1s 2 2s 2 2p 1 3p 1 ) 1 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p | .450221 | -.56146440 |
| 2 | 3p | .571274 | -.47848730 |
| 3 | 2p | 1.360265 | .15731514 |
| 4 | 2p | 3.140521 | .04853355 |
| 5 | 4p | 3.265258 | .01575863 |
| 6 | 3p | 5.971822 | -.00249252 |
| ORB.ENERGY,a.u. | -.096081 | ||
| NORM | 1.000000 | < R > | 7.121202 | < R2 > | 58.061272 | < 1/R > | .174857 | < 1/R**2 > | .059367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.588300 | .74559472 |
| 2 | 2p | 2.409850 | .30441472 |
| 3 | 2p | 6.770296 | .00892278 |
| 4 | 3p | 2.838565 | -.07192536 |
| 5 | 4p | 1.576036 | .05859153 |
| 6 | 4p | 9.821903 | -.00063067 |
| 7 | 5p | .636226 | -.00028518 |
| ORB.ENERGY,a.u. | -.695330 | ||
| NORM | 1.000000 | < R > | 1.471819 | < R2 > | 2.686577 | < 1/R > | .885567 | < 1/R**2 > | 1.104268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.542775 | .24218944 |
| 2 | 2s | 1.611575 | -.75518477 |
| 3 | 3s | 2.754790 | -.27651529 |
| 4 | 4s | 11.166811 | .00298240 |
| 5 | 5s | 5.762761 | -.02656969 |
| 6 | 5s | 3.568921 | .01849072 |
| 7 | 4s | 25.437755 | .00005514 |
| 8 | 4s | .874272 | -.00131245 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.479293 | < R2 > | 2.604636 | < 1/R > | .958955 | < 1/R**2 > | 3.700104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212383 | .71603129 |
| 2 | 1s | 8.200731 | .22614938 |
| 3 | 1s | 2.431055 | .00379081 |
| 4 | 2s | 6.452270 | .08036635 |
| 5 | 3s | 6.773672 | -.01404758 |
| 6 | 4s | 10.920205 | .00563858 |
| 7 | 5s | 42.276513 | -.00002710 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268128 | < R2 > | .096902 | < 1/R > | 5.668161 | < 1/R**2 > | 65.296835 |
Total Energy= -37.38080964 a.u.
Kinetic Energy= 37.38830793 a.u.
Potential Energy= -74.76911757 a.u.
Virial Ratio = -1.99979945