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Elsevier BV
Computational Materials Science (78)
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Kresse, G., & Furthmüller, J. (1996). Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6(1), 15–50.

Authors 2
  1. G. Kresse (first)
  2. J. Furthmüller (additional)
References 72 Referenced 65,099
  1. 10.1103/PhysRev.140.A1133 / Phys. Rev. by Kohn (1965)
  2. 10.1103/PhysRev.56.340 / Phys. Rev. by Feynman (1939)
  3. 10.1103/PhysRevLett.55.2471 / Phys. Rev. Lett. by Car (1985)
  4. 10.1103/PhysRevA.44.6334 / Phys. Rev. by Pastore (1991)
  5. 10.1103/PhysRevLett.48.1425 / Phys. Rev. Lett. by Kleinman (1982)
  6. 10.1103/PhysRevLett.56.2656 / Phys. Rev. Lett. by Payne (1986)
  7. 10.1103/PhysRevB.50.10561 / Phys. Rev. by Tassone (1994)
  8. {'key': '10.1016/0927-0256(96)00008-0_BIB8', 'first-page': '562', 'volume': 'B 32', 'author': 'Williams', 'year': '1987', 'journal-title': 'Bull. Am. Phys. Soc.'} / Bull. Am. Phys. Soc. by Williams (1987)
  9. 10.1103/PhysRevLett.64.1146 / Phys. Rev. Lett. by Qian (1990)
  10. 10.1103/PhysRevB.40.12255 / Phys. Rev. by Teter (1989)
  11. 10.1103/PhysRevB.39.4997 / Phys. Rev. by Stich (1989)
  12. 10.1088/0953-8984/1/4/005 / J. Phys.: Condens. Matter by Gillan (1989)
  13. 10.1103/PhysRevLett.69.1077 / Phys. Rev. Lett. by Arias (1992)
  14. 10.1103/PhysRevB.47.558 / Phys. Rev. by Kresse (1993)
  15. 10.1103/PhysRevB.48.13115 / Phys. Rev. by Kresse (1993)
  16. {'key': '10.1016/0927-0256(96)00008-0_BIB16', 'series-title': 'Proc. 6th Int Conf. on the Structure of Non-Cryst. Mater. (NCM6)', 'first-page': '222', 'volume': '192/193', 'author': 'Kresse', 'year': '1995'} / Proc. 6th Int Conf. on the Structure of Non-Cryst. Mater. (NCM6) by Kresse (1995)
  17. 10.1103/PhysRevB.49.14251 / Phys. Rev. by Kresse (1994)
  18. {'year': '1995', 'series-title': 'Proc. 9th Int Conf. on Liquid and Amorphous Metals (LAM9)', 'author': 'Kresse', 'key': '10.1016/0927-0256(96)00008-0_BIB18'} / Proc. 9th Int Conf. on Liquid and Amorphous Metals (LAM9) by Kresse (1995)
  19. 10.1209/0295-5075/28/9/008 / Europhys. Lett. by Furthmüller (1994)
  20. 10.1103/PhysRevB.53.7334 / Phys. Rev. by Furthmüller (1996)
  21. 10.1103/PhysRevLett.74.5084 / Phys. Rev. Lett. by Furthmüller (1995)
  22. 10.1016/0039-6028(95)00906-X / Surf. Sci. by Eichler (1996)
  23. 10.1209/0295-5075/32/9/005 / Europhys. Lett. by Kresse (1995)
  24. 10.1090/S0025-5718-1965-0198670-6 / Math. Comput. by Broyden (1965)
  25. 10.1016/0009-2614(80)80396-4 / Chem. Phys. Lett. by Pulay (1980)
  26. 10.1103/PhysRevB.41.7892 / Phys. Rev. by Vanderbilt (1990)
  27. {'key': '10.1016/0927-0256(96)00008-0_BIB26', 'first-page': '10142', 'volume': 'B 47', 'author': 'Laasonen', 'year': '1992', 'journal-title': 'Phys. Rev.'} / Phys. Rev. by Laasonen (1992)
  28. {'year': '1993', 'author': 'Kresse', 'key': '10.1016/0927-0256(96)00008-0_BIB27'} by Kresse (1993)
  29. 10.1088/0953-8984/6/40/015 / J. Phys.: Condens. Matter by Kresse (1994)
  30. 10.1103/PhysRev.137.A1441 / Phys. Rev. by Mermin (1965)
  31. 10.1103/RevModPhys.61.689 / Rev. Mod. Phys. by Jones (1989)
  32. 10.1103/PhysRevB.45.13709 / Phys. Rev. B. by Weinert (1992)
  33. 10.1103/PhysRevB.45.11372 / Phys. Rev by Wentzcovitch (1992)
  34. 10.1103/PhysRevB.28.5480 / Phys. Rev. by Fu (1983)
  35. 10.1103/PhysRevB.7.5212 / Phys. Rev. by Baldereschi (1973)
  36. 10.1103/PhysRevB.8.5747 / Phys. Rev. by Chadi (1973)
  37. 10.1103/PhysRevB.13.5188 / Phys. Rev. by Monkhorst (1976)
  38. 10.1016/0038-1098(71)90313-9 / Solid State Commun. by Jepsen (1971)
  39. 10.1103/PhysRevB.49.16223 / Phys. Rev. by Blöchl (1994)
  40. 10.1088/0953-8984/3/33/002 / J. Phys.: Condens. Matter by De Vita (1991)
  41. {'year': '1992', 'author': 'De Vita', 'key': '10.1016/0927-0256(96)00008-0_BIB37_2'} by De Vita (1992)
  42. A. De Vita and M.J. Gillan, preprint (Aug. 1992).
  43. 10.1103/PhysRevB.40.3616 / Phys. Rev. by Methfessel (1989)
  44. 10.1103/PhysRevB.31.1770 / Phys. Rev. by Harris (1985)
  45. {'year': '1987', 'author': 'Foulkes', 'key': '10.1016/0927-0256(96)00008-0_BIB40'} by Foulkes (1987)
  46. 10.1103/PhysRevB.39.12520 / Phys. Rev. by Foulkes (1989)
  47. {'year': '1977', 'series-title': 'Modern Theoretical Chemistry', 'author': 'Pulay', 'key': '10.1016/0927-0256(96)00008-0_BIB42_1'} / Modern Theoretical Chemistry by Pulay (1977)
  48. 10.1080/00268976900100941 / Mol. Phys. by Pulay (1969)
  49. 10.1103/PhysRevB.45.1597 / Phys. Rev by Goedecker (1992)
  50. 10.1088/0305-4470/18/9/018 / J. Phys. A: Math. Gen. by Wood (1985)
  51. 10.1103/PhysRevB.42.1394 / Phys. Rev. by Bylander (1990)
  52. {'year': '1980', 'author': 'Parlett', 'key': '10.1016/0927-0256(96)00008-0_BIB46'} by Parlett (1980)
  53. {'year': '1991', 'author': 'Furthmüller', 'key': '10.1016/0927-0256(96)00008-0_BIB47'} by Furthmüller (1991)
  54. {'key': '10.1016/0927-0256(96)00008-0_BIB48_1', 'series-title': 'Methods in Computational Molecular Physics', 'first-page': '95', 'volume': 'Vol. 113', 'author': 'Davidson', 'year': '1983'} / Methods in Computational Molecular Physics by Davidson (1983)
  55. {'key': '10.1016/0927-0256(96)00008-0_BIB48_2', 'series-title': 'Rep. on the Workshop “Numerical Algorithms in Chemistry: Algebraic Methods”', 'first-page': '49', 'author': 'Davidson', 'year': '1978'} / Rep. on the Workshop “Numerical Algorithms in Chemistry: Algebraic Methods” by Davidson (1978)
  56. J. Comput. Phys. 17, 87. (10.1016/0021-9991(75)90065-0)
  57. {'key': '10.1016/0927-0256(96)00008-0_BIB49', 'series-title': 'Report on the Workshop “Numerical Algorithms in Chemistry: Algebraic Methods”', 'first-page': '49', 'author': 'Liu', 'year': '1978'} / Report on the Workshop “Numerical Algorithms in Chemistry: Algebraic Methods” by Liu (1978)
  58. {'year': '1986', 'author': 'Press', 'key': '10.1016/0927-0256(96)00008-0_BIB50'} by Press (1986)
  59. {'year': '1971', 'author': 'Polak', 'key': '10.1016/0927-0256(96)00008-0_BIB51'} by Polak (1971)
  60. 10.6028/jres.045.026 / J. Res. Nat. Bur. Stand. by Lanczos (1950)
  61. P.E. Blöchl and R.M. Martin, private communication.
  62. 10.1103/PhysRevB.45.1538 / Phys Rev. by Arias (1992)
  63. 10.1103/PhysRevB.44.13063 / Phys. Rev. by King-Smith (1991)
  64. {'key': '10.1016/0927-0256(96)00008-0_BIB56', 'first-page': '12087', 'volume': 'B 38', 'author': 'Johnson', 'year': '1988', 'journal-title': 'Phys. Rev.'} / Phys. Rev. by Johnson (1988)
  65. {'key': '10.1016/0927-0256(96)00008-0_BIB57', 'first-page': 'L317', 'volume': 'A 17', 'author': 'Srivastava', 'year': '1984', 'journal-title': 'J. Phys.'} / J. Phys. by Srivastava (1984)
  66. {'year': '1988', 'author': 'Blügel', 'key': '10.1016/0927-0256(96)00008-0_BIB58'} by Blügel (1988)
  67. 10.1103/PhysRevB.30.6118 / Phys. Rev. by Vanderbilt (1984)
  68. 10.1103/PhysRevB.23.3082 / Phys. Rev. by Kerker (1981)
  69. 10.1103/PhysRevB.46.13596 / Phys. Rev. by Yamamoto (1992)
  70. 10.1088/0953-8984/6/10/017 / J. Phys.: Condens. Matter by Grumbach (1994)
  71. {'key': '10.1016/0927-0256(96)00008-0_BIB63', 'first-page': '2455', 'volume': 'C 18', 'author': 'Akai', 'year': '1985', 'journal-title': 'J. Phys.'} / J. Phys. by Akai (1985)
  72. 10.1103/PhysRevB.50.17953 / Phys. Rev. by Blöchl (1994)
Dates
Type When
Created 23 years ago (July 25, 2002, 3:03 p.m.)
Deposited 6 years, 3 months ago (April 22, 2019, 11:25 p.m.)
Indexed 54 minutes ago (Aug. 21, 2025, 8:20 a.m.)
Issued 29 years, 1 month ago (July 1, 1996)
Published 29 years, 1 month ago (July 1, 1996)
Published Print 29 years, 1 month ago (July 1, 1996)
Funders 0

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@article{Kresse_1996, title={Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set}, volume={6}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/0927-0256(96)00008-0}, DOI={10.1016/0927-0256(96)00008-0}, number={1}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Kresse, G. and Furthmüller, J.}, year={1996}, month=jul, pages={15–50} }