(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P P 3+
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 | 2p | 4.372025 | .30623557 |
| 2 | 2p | 1.479819 | -.49695552 |
| 3 | 3p | 1.772651 | -.58334024 |
| 4 | 2p | 8.647870 | .07489997 |
| 5 | 3p | 15.442779 | -.00218163 |
| ORB.ENERGY,a.u. | -1.339700 | ||
| NORM | 1.000000 | < R > | 1.948665 | < R2 > | 4.383143 | < 1/R > | .680484 | < 1/R**2 > | 1.031127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.199256 | -.05430824 |
| 2 | 1s | 10.341457 | .00600078 |
| 3 | 1s | 12.191365 | .11855820 |
| 4 | 2s | 5.101085 | -.37806943 |
| 5 | 3s | 2.064510 | .83714827 |
| 6 | 4s | 3.295098 | .26411099 |
| 7 | 5s | 15.326325 | -.00574195 |
| 8 | 4s | 30.525755 | .00028060 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.678129 | < R2 > | 3.211389 | < 1/R > | .808816 | < 1/R**2 > | 3.838188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.157187 | .45329550 |
| 2 | 3p | 6.268984 | .50342186 |
| 3 | 4p | 4.998825 | .15047515 |
| 4 | 5p | 3.311782 | .00374173 |
| 5 | 2p | 18.144168 | .00394443 |
| 6 | 5p | 35.201262 | -.00013128 |
| 7 | 3p | 6.142341 | -.00185816 |
| 8 | 3p | 64.454733 | .00000391 |
| 9 | 4p | .802021 | .00123525 |
| 10 | 5p | .918344 | -.00111153 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .481670 | < R2 > | .289354 | < 1/R > | 2.713380 | < 1/R**2 > | 10.330205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.197908 | .35972985 |
| 2 | 2s | 6.045659 | -.82684066 |
| 3 | 3s | 5.146574 | -.30270679 |
| 4 | 4s | 23.965097 | .00235915 |
| 5 | 3s | 15.097239 | .00830852 |
| 6 | 2s | 2.089763 | -.01067808 |
| 7 | 5s | 51.522479 | .00005054 |
| 8 | 5s | 108.160931 | .00000210 |
| 9 | 5s | 1.594138 | -.00203091 |
| 10 | 3s | 1.195561 | .00261093 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .515481 | < R2 > | .315792 | < 1/R > | 2.833266 | < 1/R**2 > | 33.093327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569829 | 1.01435035 |
| 2 | 2s | 20.441843 | -.02224096 |
| 3 | 3s | 10.609684 | .01928952 |
| 4 | 4s | 57.021129 | -.00049459 |
| 5 | 4s | 9.999650 | .00290694 |
| 6 | 5s | 71.738086 | .00016803 |
| 7 | 5s | 12.436569 | -.00825838 |
| 8 | 2s | 1.764873 | -.00013018 |
| 9 | 2s | 3.888514 | .00017790 |
| 10 | 3s | 108.908970 | -.00001296 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103797 | < R2 > | .014486 | < 1/R > | 14.574298 | < 1/R**2 > | 428.641921 |
Total Energy= -338.24088379 a.u.
Kinetic Energy= 338.06896727 a.u.
Potential Energy= -676.30985107 a.u.
Virial Ratio = -2.00050852