Helium

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

Non-self-consistent kinetic energy

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

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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.