On the brillouin-zone integrations in second-order many-body perturbation calculations for extended systems of one-dimensional periodicity

International Journal of Quantum Chemistry

Volumn 109, Issue 13, 2009, Pages 2953-2959

  Shimazaki, Tomomi ^a   Hirata, So ^b,c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b University of Florida   (United States)

^c UNIVERSITY OF FLORIDA   (United States)

Author keywords

Brillouin zone integrations; Many body perturbation theory; Periodic boundary conditions; Polymers; Quasi particle energy bands

Indexed keywords

BRILLOUIN ZONE INTEGRATION; BRILLOUIN ZONES; BRILLOUIN-ZONE INTEGRATIONS; COMPUTATIONAL COSTS; CORRELATION ENERGY; EXTENDED SYSTEMS; MANY-BODY PERTURBATION; MANY-BODY PERTURBATION THEORY; ONE-DIMENSIONAL PERIODICITY; ONE-DIMENSIONAL SOLIDS; PERIODIC BOUNDARY CONDITIONS; QUASI PARTICLES; QUASI-PARTICLE ENERGY BANDS; SECOND ORDERS;

ACETYLENE; BAND STRUCTURE; BOUNDARY CONDITIONS; ONE DIMENSIONAL;

PERTURBATION TECHNIQUES;

EID: 70349089598     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22176     Document Type: Article

References (11)

1. Harris, F. E. J Phys: Condens Matter 2002, 14, 621.
2. Chadi, D. J.; Cohen, M. L. Phys Rev B 1973, 8, 5747.
3. Monkhorst, H. J.; Pack, J. D. Phys Rev B 1976, 13, 5188.
4. Hirata, S.; Torii, H.; Tasumi, M. Phys Rev B 1998, 57, 11994.
5. Hirata, S.; Podeszwa, R.; Tobita, M.; Bartlett, R. J. J Chem Phys 2004, 120, 2581.
6. Sun, J. Q.; Bartlett, R. J. J Chem Phys 1996, 104, 8553.
7. Fripiat, J. G.; Delhalle, J.; Harris, F. E. Chem Phys Lett 2006, 422, 11.
8. Suhai, S. Chem Phys Lett 1983, 96, 619.
9. Suhai, S. Phys Rev B 1983, 27, 3506.
10. Hirata, S.; Tasumi, M.; Torii, H.; Iwata, S.; Head-Gordon, M.; Bartlett, R. J. Polymer 2009.
11. March, N. H.; Young, W. H.; Sampanthar, S. The Many-Body Problem in Quantum Mechanics; Cambridge University Press: Cambridge, 1967.