Comparison of electron propagator methods for calculating electron detachment energies of anions

✍ Scribed by O. Dolgounitcheva; V. G. Zakrzewski; J. V. Ortiz

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 148 KB
• Volume: 65
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1997)65:5<463::aid-qua10>3.0.co;2-4

✦ Synopsis

Electron propagator methods for calculating vertical electron detachment energies of closed-shell anions are compared with respect to accuracy and efficiency. Examination of self-energy terms and numerical tests on typical anions show that the Ž . partial third-order P3 quasi-particle approximation is superior to the third-order and outer valence Green's function methods in both respects.