| Element | Configuration | Total Energy |
|---|---|---|
| He | \(1s^2\) | -2.834455 |
Kinetic Energy
| Kohn-Sham | Thomas-Fermi | von Weizsacker |
|---|---|---|
| 2.767389 | - | 2.767388 |
Eigenvalues
| \(f_{nl}\) | \(n\) | \(l\) | \(\varepsilon_{nl}\) |
|---|---|---|---|
| 2.0 | \(1\) | \(0\) | -0.57025597 |
| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 2.86167999700000 | 2.86167999700000 |
| TsKS | 2.86168053445051 | 2.86168053445051 |
| TF | 2.56050922975497 | 2.56050922975497 |
| W | 2.86168053442962 | 2.86168053442962 |
| GEA2 | 2.87847373358048 | 2.87847373358048 |
| GEA4 | 2.96336920108416 | 2.96336920108416 |
| TFW | 5.42218976418460 | 5.42218976418460 |
| TF5W | 3.13284533664089 | 3.13284533664089 |
| P82 | 2.74053107714250 | 2.74053107714250 |
| DK87 | 2.87636692014570 | 2.87636692014570 |
| LLP | 2.85853987568829 | 2.85853987568829 |
| OL1 | 2.90679217654106 | 2.90679217654106 |
| OL2 | 2.89715506462517 | 2.89715506462517 |
| P92 | 2.87910526558169 | 2.87910526558169 |
| T92 | 2.87660598933409 | 2.87660598933409 |
| LC94 | 2.86829814075654 | 2.86829814075654 |
| LP97 | 2.91096630835485 | 2.91096630835485 |
| VJKS00 | 2.66410245407605 | 2.66410245407605 |
| E00 | 2.97632517999751 | 2.97632517999751 |
| TW02 | 2.86167628553039 | 2.86167628553039 |
| PBE2 | 5.16201371487348 | 5.16201371487348 |
| PBE4 | 4.01579894061462 | 4.01579894061462 |
| MGGA | 2.99305247418005 | 2.99305247418005 |
| GDS08 | 3.68327714117590 | 3.68327714117590 |
| RDA | 2.93666554180586 | 2.93666554180586 |
| APBEK | 2.86589263406153 | 2.86589263406153 |
| revAPBEK | 2.89112980037117 | 2.89112980037117 |
| VT84F | 5.15141136710847 | 5.15141136710847 |
| L04 | 2.92839427042700 | 2.92839427042700 |
| L06 | 2.93137213848385 | 2.93137213848385 |
| revMGGA | 3.34595054479561 | 3.34595054479561 |
| revMGGAloc | 3.08874047818085 | 3.08874047818085 |
| TFLreg | 3.00568439354297 | 3.00568439354297 |
| LGAPGE | 2.95708652416708 | 2.95708652416708 |
| LGAP | 2.88513605044696 | 2.88513605044696 |
| MVT84F | 3.16040946375817 | 3.16040946375817 |
Disclaimer:
To the best of our knowledge, the information contained herein is accurate and reliable as of the date of publication; however, we do not assume any liability whatsoever for the accuracy and completeness of the above information.