Non-self-consistent kinetic energy

Density Hartree-Fock
Basis Slater-type functions
Integration grid Double exponential
Fractional occupation Yes
Units Hartree atomic units

Configuration

\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 4f^{14} 6s^2 5d^{10} 6p^1\)

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 18961.8246923690 18961.8246923690
TsKS 18961.8246373796 18961.8246373796
TF 18091.9198021548 18091.9073597872
W 6688.21695046584 6688.19866443182
GEA2 18835.0550188732 18835.0405447240
GEA4 18954.1781715086 18954.1611209980
TFW 24780.1367526206 24780.1060242190
TF5W 19429.5631922480 19429.5470926736
P82 18806.0217590917 18806.0109357994
DK87 18926.7250333117 18926.7147086636
LLP 18973.0698751984 18973.0574931764
OL1 18953.4161198082 18953.4016168025
OL2 18962.0620380832 18962.0474791095
P92 18836.4864490799 18836.4719708772
T92 18815.7230695202 18815.7109513455
LC94 18968.0077618946 18967.9951199573
LP97 20568.1621395954 20568.1479942400
VJKS00 18852.3743055876 18852.3703290954
E00 18874.5589560957 18874.5394568214
TW02 18952.2872597881 18952.2754642506
PBE2 25587.4208631862 25587.4145658635
PBE4 19381.5329214245 19381.5518039201
MGGA 18985.9030757767 18985.8878389925
GDS08 6822.46372306823 6822.40168404865
RDA 16907.4905124202 16907.4658699234
APBEK 18972.9044548476 18972.8927431333
revAPBEK 18998.6756030170 18998.6634670272
VT84F 23706.1984410073 23706.1644496655
L04 18939.6407733298 18939.6263278314
L06 18939.5912186519 18939.5760445528
revMGGA 19583.7994486652 19583.7849744449
revMGGAloc 18611.8149982363 18611.8055727320
TFLreg 18755.3972966087 18755.3848542407
LGAPGE 18997.8245744933 18997.8085494295
LGAP 18967.4634123694 18967.4509629883
MVT84F 15988.9645941727 15988.9181614235

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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.