N

Nitrogen

Element	Configuration	Total Energy
N	\(1s^2 2s^2 2p^3\)	-54.023168

Kinetic Energy

Kohn-Sham	Thomas-Fermi	von Weizsacker
53.730226	-	43.145514

Eigenvalues

\(f_{nl}\)	\(n\)	\(l\)	\(\varepsilon_{nl}\)
2.0	\(1\)	\(0\)	-14.01138204
2.0	\(2\)	\(0\)	- 0.67604909
3.0	\(2\)	\(1\)	- 0.26621431

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

\(1s^2 2s^2 2p^3\)

Kinetic Energy

Functional	Spin-polarized	Spin-unpolarized
ref	54.4009341800000	54.4009341800000
TsKS	54.4009371452610	54.4009371452610
TF	49.4763386483668	48.6270595026435
W	44.1730132560220	43.8025620985206
GEA2	54.3844512323692	53.4940108469236
GEA4	55.4118962413790	54.4891531842343
TFW	93.6493519043889	92.4296216011642
TF5W	58.3109412995712	57.3875719223476
P82	52.7166756733165	51.8632169306601
DK87	54.0645068761442	53.2404267237341
LLP	54.4209684876137	53.5707645337499
OL1	54.8807887320026	53.9882231948479
OL2	54.7431300995443	53.8470697755272
P92	54.3941615003072	53.5036410050228
T92	54.5775913256921	53.7436636877930
LC94	54.5323759841287	53.6769556425650
LP97	56.2481686035294	55.2826485613207
VJKS00	52.4621404517067	51.7755652349084
E00	55.1873895905041	54.2139195136272
TW02	54.4917149877658	53.6556962395195
PBE2	92.8882325674649	92.1638897433236
PBE4	73.3846767532409	73.2682995771840
MGGA	54.8488214156529	53.8813753344949
GDS08	49.0556310396921	48.4806967384437
RDA	54.8860516821239	54.1359524782598
APBEK	54.5738592035084	53.7394167431360
revAPBEK	54.9242456977330	54.0814771479429
VT84F	89.0897475865782	87.7761072086523
L04	55.3926153112469	54.5612069380591
L06	55.3610717412572	54.4502813620169
revMGGA	60.6024039647211	59.6243877261816
revMGGAloc	56.3966087456276	55.3199838606116
TFLreg	54.9355813768863	54.0090906890196
LGAPGE	55.4583333567034	54.5401031057636
LGAP	54.8080795688395	53.9595120658230
MVT84F	50.7366110891669	49.7311192082142

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.