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Physical Measurement Laboratory

NIST Electronic potential energy curves of the Mg2 Excited Sigma and Pi states

Table 1. Calculated energies^a for the excited states of Mg₂ arising from the ¹S + ³P asymptote

R(bohr)^b	³Π_g	³Π_u	³Σ_g⁺	³Σ_u⁺
4.0	-399.151 67		-399.027 15	-399.102 64
4.5	-399.188 96	-399.116 54		-399.156 10
5.0	-399.204 38	-399.144 22	-399.086 51	-399.179 49
5.5	-399.207 91	-399.159 14		-399.189 37
6.0	-399.205 60	-399.167 18	-399.139 74	-399.190 69
6.5	-399.200 38	-399.171 56		-399.187 98
7.0	-399.195 72	-399.174 00	-399.164 49	-399.183 93
7.5	-399.191 89	-399.175 38
9.0	-399.184 78	-399.176 79		-399.173 47
12.0	-399.181 93	-399.176 74		-399.170 03
15.0			-399.174 04
^a Energies in hartree; 1 hartree = 27.212 eV = 219 475 cm^-1. ^b 1 bohr = 0.529 1772 × 10^-8 cm.

Reference

Table 2. Calculated energies^a for the excited states of Mg₂ arising from the ¹S + ¹P asymptote

R(bohr)^b	¹Π_g	¹Π_u	2 ¹Σ_g⁺	¹Σ_u⁺
4.0	-399.104 83	-399.004 97	-398.947 69	-399.045 41
5.0	-399.151 64	-399.075 55	-399.047 39	-399.113 82
5.5	-399.151 99	-399.084 71	-399.075 87	-399.122 46
6.0	-399.146 57	-399.086 24	-399.093 28	-399.124 45
7.0	-399.130 31	-399.080 64	-399.104 83	-399.120 60
8.0	-399.115 18	-399.075 89	-399.100 27	-399.114 23
15.0	-399.085 97	-399.083 19	-399.087 37	-399.093 95
∞ ^c	-399.083 88	-399.085 28	-399.091 54	-399.089 78
^a Energies in hartree; 1 hartree = 27.212 eV = 219 475 cm^-1. ^b 1 bohr = 0.529 1772 × 10^-8 cm. ^c Asymptotic energies calculated by adding dipole-dipole resonance interactions to the R = 15 bohr values using µ_g² = 7.03 a.u.

Reference

Atomic / molecular / quantum and Reference data

Created November 2, 2015, Updated August 25, 2016