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Improved calculation of the electron affinity of He 1s2s /sup 3/S

Journal Article · · Phys. Rev. A; (United States)
Large-scale optimization of nonlinear parameters and tighter error-bound estimates yield an accurate value, E/sub nr/ = -2.178 077 6(12) a.u. (/sup 4/He) for the nonrelativistic energy of He/sup -/ 1s2s2p /sup 4/P/sup o/, in agreement with a previous result of -2.178 074 0(100). Using Chung's recent calculation of relativistic and mass-polarization effects, an electron affinity A = 77.51 +- 0.04 meV is obtained. The calculation and significance of error bars in electronic structure calculations is discussed.
Research Organization:
Departamento de Quimica, Universidad Autonoma MetropolitanaIztapalapa, Apartado Postal 55-532, Iztapalapa, 09340 Mexico 13, Distrito Federal, Mexico
OSTI ID:
6149625
Journal Information:
Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 30:5; ISSN PLRAA
Country of Publication:
United States
Language:
English