B

Boron

Element	Configuration	Total Energy
B	\(1s^2 2s^2 2p^1\)	-24.343203

Kinetic Energy

Kohn-Sham	Thomas-Fermi	von Weizsacker
24.160125	-	21.484412

Eigenvalues

\(f_{nl}\)	\(n\)	\(l\)	\(\varepsilon_{nl}\)
2.0	\(1\)	\(0\)	-6.56410695
2.0	\(2\)	\(0\)	-0.34468355
1.0	\(2\)	\(1\)	-0.13660202

external potential, \(v_{\rm ext}\), v_ext
Hartree potential, \(v_{\rm H}\), v_h
Hartree-xc potential, \(v_{\rm Hxc}\), v_hxc
Kinetic energy density, \(\tau_{\rm s}\), tau
Pauli potential, \(v_\theta\), vtheta

Non-self-consistent kinetic energy

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

Configuration

\(1s^2 2s^2 2p^1\)

Kinetic Energy

Functional	Spin-polarized	Spin-unpolarized
ref	24.5290607250000	24.5290607250000
TsKS	24.5290614692334	24.5290614692334
TF	22.0090377261004	21.9654847191771
W	21.9279361632557	21.9005759328385
GEA2	24.4454750775733	24.3988820450480
GEA4	24.9769743799453	24.9256959694083
TFW	43.9369738893561	43.8660606520157
TF5W	26.3946249587516	26.3455999057448
P82	23.4721441802632	23.4266902263310
DK87	24.1314664144748	24.0743698576255
LLP	24.3973086369056	24.3538556213588
OL1	24.6778997977801	24.6311830708948
OL2	24.6055568600441	24.5586705529788
P92	24.4503050726858	24.4037060612540
T92	24.5116049088622	24.4690375418136
LC94	24.4630182221666	24.4192805103718
LP97	25.0214162696536	24.9719021596055
VJKS00	23.3004185742801	23.2725976362359
E00	24.8997074506344	24.8437697623647
TW02	24.4362387562847	24.3940708519783
PBE2	42.9932818241636	42.9619790563870
PBE4	33.3257216110377	33.2993769821971
MGGA	24.5740422988266	24.4766640203986
GDS08	24.2538649725836	24.1890478967335
RDA	24.7370443611180	24.6775213214917
APBEK	24.4726213228916	24.4305104936792
revAPBEK	24.6608027772420	24.6184355711111
VT84F	41.5951525151408	41.5179907875008
L04	24.9797772395190	24.9444905378685
L06	24.9675717945133	24.9278017718904
revMGGA	27.6179132320387	27.5546219314469
revMGGAloc	25.6815343991356	25.6268930402839
TFLreg	24.8005775951485	24.7188977482527
LGAPGE	24.9878219772432	24.9386058456496
LGAP	24.6167589301107	24.5747342565382
MVT84F	23.5939542366603	23.5218108655078

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.