(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | 1.253548 | .39607969 |
| 2 | 4d | .747117 | -2.03801065 |
| 3 | 5d | .652661 | 2.22980587 |
| 4 | 3d | 2.641501 | .16950683 |
| 5 | 4d | 3.349968 | -.04751047 |
| 6 | 5d | 5.665247 | .00531439 |
| 7 | 3d | 7.057521 | .00778791 |
| ORB.ENERGY,a.u. | -.390930 | ||
| NORM | .999996 | < R > | 9.678082 | < R2 > | 106.931774 | < 1/R > | .153163 | < 1/R**2 > | .062492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.871245 | .38013692 |
| 2 | 2p | 1.761155 | -.79141413 |
| 3 | 3p | 2.403502 | -.37819961 |
| 4 | 2p | 9.488478 | .09823354 |
| 5 | 4p | 1.972082 | .04631155 |
| 6 | 3p | 13.719259 | -.00441853 |
| 7 | 4p | 30.801574 | -.00032180 |
| 8 | 5p | 1.062582 | .00041912 |
| 9 | 3p | 44.584476 | -.00002678 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.527596 | < R2 > | 2.693133 | < 1/R > | .873552 | < 1/R**2 > | 1.677681 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.380391 | -.33355670 |
| 2 | 1s | 12.271295 | .19682949 |
| 3 | 1s | 65.483608 | .00007391 |
| 4 | 2s | 5.660617 | -.22514827 |
| 5 | 3s | 2.694904 | .99604158 |
| 6 | 4s | 4.736065 | .11579188 |
| 7 | 3s | 37.068956 | -.00055913 |
| 8 | 5s | 2.545420 | .08256959 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.414349 | < R2 > | 2.283904 | < 1/R > | .961819 | < 1/R**2 > | 5.403084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.957944 | .41311866 |
| 2 | 3p | 7.908518 | .49208332 |
| 3 | 4p | 6.544630 | .18791402 |
| 4 | 5p | 5.326403 | .01826244 |
| 5 | 5p | 34.555840 | -.00020104 |
| 6 | 3p | 2.443028 | .00156542 |
| 7 | 2p | 24.107569 | .00153189 |
| 8 | 4p | 87.803160 | .00000666 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404821 | < R2 > | .203243 | < 1/R > | 3.206646 | < 1/R**2 > | 14.316798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754024 | .37591900 |
| 2 | 2s | 6.936997 | -.76842550 |
| 3 | 3s | 6.418284 | -.16214721 |
| 4 | 4s | 26.700087 | .00171025 |
| 5 | 2s | 4.893655 | -.19785260 |
| 6 | 3s | 17.907363 | .00647156 |
| 7 | 4s | 2.875328 | -.00051852 |
| 8 | 5s | 44.712725 | .00011386 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440569 | < R2 > | .229824 | < 1/R > | 3.322445 | < 1/R**2 > | 45.407591 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578507 | 1.01107657 |
| 2 | 2s | 20.675754 | -.01844121 |
| 3 | 3s | 15.069867 | .01705990 |
| 4 | 4s | 62.072513 | -.00038926 |
| 5 | 4s | 8.148901 | .00130077 |
| 6 | 5s | 80.202824 | .00011160 |
| 7 | 5s | 8.284111 | -.00056773 |
| 8 | 2s | 28.468195 | -.00340509 |
| 9 | 2s | 164.542316 | .00000222 |
| 10 | 3s | 1.780794 | -.00000732 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561311 | < 1/R**2 > | 553.062759 |
Total Energy= -457.00052117 a.u.
Kinetic Energy= 456.99919506 a.u.
Potential Energy= -913.99971623 a.u.
Virial Ratio = -2.00000290