(1s 2 2s 2 2p 3 5p 1 ) 3 P O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.506270 | .02106459 |
| 2 | 3p | .196313 | -6.31378743 |
| 3 | 4p | .277147 | 6.20798665 |
| 4 | 5p | .857795 | -.10128992 |
| 5 | 2p | 4.883038 | .00175072 |
| 6 | 5p | 2.323557 | .01434979 |
| 7 | 4p | .099059 | .00541857 |
| ORB.ENERGY,a.u. | -.026552 | ||
| NORM | 1.000003 | < R > | 28.269199 | < R2 > | 897.485993 | < 1/R > | .046554 | < 1/R**2 > | .004155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.991737 | .70741250 |
| 2 | 2p | 3.536210 | .30610366 |
| 3 | 2p | 7.853537 | .01738863 |
| 4 | 4p | 1.643878 | .03460911 |
| 5 | 5p | 9.737504 | .00309517 |
| 6 | 5p | 4.027980 | .00726407 |
| 7 | 5p | .316186 | .01845796 |
| 8 | 3p | 1.183273 | -.01484925 |
| 9 | 4p | .228745 | -.01906753 |
| 10 | 3p | .067365 | -.00011418 |
| ORB.ENERGY,a.u. | -1.196500 | ||
| NORM | 1.000000 | < R > | 1.077915 | < R2 > | 1.472771 | < 1/R > | 1.225844 | < 1/R**2 > | 2.140484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.733237 | .29219125 |
| 2 | 2s | 2.835735 | -.83383762 |
| 3 | 3s | 2.147501 | -.30332712 |
| 4 | 3s | 9.188187 | .01509621 |
| 5 | 4s | 9.547303 | .00773911 |
| 6 | 5s | 2.196012 | .03405426 |
| 7 | 5s | 37.594997 | -.00005725 |
| 8 | 4s | 1.529413 | -.01686413 |
| 9 | 3s | 1.156078 | .00779395 |
| 10 | 2s | 59.242191 | .00000433 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089338 | < R2 > | 1.421405 | < 1/R > | 1.319761 | < 1/R**2 > | 7.126194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128538 | .84550161 |
| 2 | 1s | 10.485257 | .16170574 |
| 3 | 2s | 6.669986 | -.00599011 |
| 4 | 3s | 4.705141 | .00356752 |
| 5 | 4s | 15.331243 | .00444225 |
| 6 | 5s | 2.453728 | .00009810 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198487 | < R2 > | .053073 | < 1/R > | 7.644319 | < 1/R**2 > | 118.430758 |
Total Energy= -74.39925176 a.u.
Kinetic Energy= 74.39403556 a.u.
Potential Energy= -148.79328732 a.u.
Virial Ratio = -2.00007012