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Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry

Roca‐Sanjuán, Daniel, Aquilante, Francesco, Lindh, Roland·2012·WIREs Computational Molecular Science
DOI 10.1002/wcms.97
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Abstract

Rooted in the very fundamental aspects of many chemical phenomena, and for the majority of photochemistry, is the onset of strongly interacting electronic configurations. To describe this challenging regime of strong electron correlation, an extraordinary effort has been put forward by a young generation of scientists in the development of theories ‘beyond’ standard wave function and density functional models. Despite their encouraging results, a twenty‐and‐more‐year old approach still stands as the gold standard for these problems: multiconfiguration second‐order perturbation theory based on complete active space reference wave function (CASSCF/CASPT2). We will present here a brief overview of the CASSCF/CASPT2 computational protocol, and of its role in our understanding of chemical and photochemical processes. © 2011 John Wiley & Sons, Ltd. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods

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Research works printed but not linked: 119

  1. 10.1039/b601115m · DOI
  2. Roos BO, 2007, Radiation Induced Molecular Phenomena in Nucleic Acids, 125
  3. 10.1007/978-94-010-0838-9_10 · doi:10.1007/978-94-010-0838-9_10
  4. 10.1103/RevModPhys.68.13 · DOI · Paper page
  5. 10.1103/PhysRevB.48.10345 · DOI · Paper page
  6. 10.1063/1.2805383 · DOI · Paper page
  7. 10.1063/1.2883976 · DOI · Paper page
  8. 10.1063/1.3222641 · DOI · Paper page
  9. 10.1063/1.3490478 · doi:10.1063/1.3490478
  10. 10.1103/PhysRevLett.106.083001 · DOI
  11. 10.1002/9780470142943.ch7 · DOI · Paper page
  12. 10.1021/j100377a012 · DOI · Paper page
  13. 10.1007/s00214-009-0608-y · DOI · Paper page
  14. 10.1063/1.3116784 · DOI · Paper page
  15. 10.1063/1.2955755 · DOI
  16. 10.1063/1.2777146 · DOI · Paper page
  17. 10.1021/ct700263h · DOI · Paper page
  18. 10.1063/1.2953696 · DOI · Paper page
  19. 10.1021/ic801537w · doi:10.1021/ic801537w
  20. 10.1021/ct900282m · doi:10.1021/ct900282m
  21. 10.1063/1.2736701 · DOI · Paper page
  22. 10.1063/1.2360264 · DOI · Paper page
  23. 10.1063/1.3157463 · DOI
  24. 10.1021/ic100345b · doi:10.1021/ic100345b
  25. 10.1063/1.465674 · DOI · Paper page
  26. Aquilante F, 2011, Challenges and Avances in Computational Chemistry and Physics, 301
  27. 10.1063/1.3489000 · DOI
  28. 10.1063/1.1361246 · DOI · Paper page
  29. 10.1063/1.1778711 · DOI · Paper page
  30. 10.1063/1.1645243 · DOI
  31. 10.1016/j.cplett.2004.08.032 · DOI · Paper page
  32. 10.1002/jcc.21318 · DOI · Paper page
  33. 10.1002/jcc.20859 · DOI
  34. 10.1021/ja805626s · DOI
  35. 10.1063/1.3211020 · DOI
  36. 10.1016/S0009-2614(98)00252-8 · DOI · Paper page
  37. 10.1063/1.1866096 · DOI
  38. 10.1002/9780470141526.ch5 · DOI
  39. 10.1351/pac199567050783 · doi:10.1351/pac199567050783
  40. Serrano‐Andrés L, 2011, Photochemistry. Specialist Periodical Reports, 11
  41. 10.1002/0470845015.cu0036 · DOI
  42. Merchán M, 2005, Computational Photochemistry
  43. 10.1002/cphc.200800454 · doi:10.1002/cphc.200800454
  44. 10.1063/1.2837827 · doi:10.1063/1.2837827
  45. 10.1021/jp103854y · DOI
  46. 10.1002/jcc.20949 · DOI
  47. 10.1016/j.theochem.2010.06.009 · doi:10.1016/j.theochem.2010.06.009
  48. 10.1007/s00214-009-0585-1 · doi:10.1007/s00214-009-0585-1
  49. 10.1016/j.theochem.2005.03.020 · DOI · Paper page
  50. 10.1016/S1380-7323(05)80018-4 · DOI · Paper page
  51. 10.1039/b922505f · DOI
  52. 10.1021/ja902311y · DOI
  53. 10.1021/ja0744450 · DOI · Paper page
  54. 10.1016/j.jphotochemrev.2008.12.001 · DOI · Paper page
  55. 10.1021/jp0729361 · DOI
  56. 10.1021/jz900262w · DOI
  57. 10.1021/ja073628j · DOI · Paper page
  58. 10.1021/ja074734o · DOI · Paper page
  59. 10.1021/ja803068n · DOI · Paper page
  60. 10.1021/jp806794x · DOI
  61. 10.1007/s00214-010-0854-z · DOI
  62. 10.1007/s00214-007-0259-9 · DOI
  63. 10.1021/ct900401z · doi:10.1021/ct900401z
  64. 10.1021/ja802531j · doi:10.1021/ja802531j
  65. 10.1021/jp104898t · doi:10.1021/jp104898t
  66. 10.1073/pnas.0802376105 · doi:10.1073/pnas.0802376105
  67. 10.1021/jp907351s · doi:10.1021/jp907351s
  68. 10.1063/1.2222357 · doi:10.1063/1.2222357
  69. 10.1021/ol9001043 · doi:10.1021/ol9001043
  70. Shen X, 2009, Bioluminescence and chemiluminescence: Biology and Scientific Applications
  71. 10.1007/978-3-662-21698-9 · DOI
  72. 10.1021/ja073834r · DOI
  73. 10.1021/ja043295f · DOI
  74. 10.1021/ja808511t · DOI
  75. 10.1016/j.cplett.2009.11.009 · DOI
  76. 10.1021/ja8052464 · DOI
  77. 10.1016/0003-4916(74)90333-9 · DOI · Paper page
  78. 10.1103/PhysRevA.33.3742 · DOI · Paper page
  79. 10.1016/S0009-2614(02)00498-0 · doi:10.1016/s0009-2614(02)00498-0
  80. 10.1016/S0065-3276(05)48022-3 · doi:10.1016/s0065-3276(05)48022-3
  81. 10.1016/S0065-3276(04)47003-8 · doi:10.1016/s0065-3276(04)47003-8
  82. 10.1021/jp900822v · doi:10.1021/jp900822v
  83. 10.1021/ct900567c · DOI
  84. 10.1021/jp103098r · DOI
  85. 10.1007/s00214-009-0605-1 · DOI
  86. 10.1021/jp711345n · doi:10.1021/jp711345n
  87. 10.1021/ic100866z · DOI
  88. 10.1021/ja066615z · doi:10.1021/ja066615z
  89. 10.1002/anie.200603600 · doi:10.1002/anie.200603600
  90. 10.1038/nature03249 · doi:10.1038/nature03249
  91. 10.1016/j.cplett.2010.03.022 · doi:10.1016/j.cplett.2010.03.022
  92. 10.1080/00268970802712555 · doi:10.1080/00268970802712555
  93. 10.1002/chem.200902310 · doi:10.1002/chem.200902310
  94. 10.1021/ja103588w · doi:10.1021/ja103588w
  95. 10.1039/b903126j · doi:10.1039/b903126j
  96. 10.1002/chem.201100438 · doi:10.1002/chem.201100438
  97. 10.1016/j.jphotochem.2007.04.015 · DOI
  98. 10.1063/1.2178794 · DOI
  99. 10.1002/qua.20967 · DOI
  100. 10.1016/j.cplett.2010.04.048 · DOI
  101. 10.1351/PAC-CON-08-08-30 · DOI
  102. 10.1007/s00214-009-0626-9 · doi:10.1007/s00214-009-0626-9
  103. 10.1021/ct200045q · DOI
  104. 10.1021/ja908051h · doi:10.1021/ja908051h
  105. 10.1007/s00214-007-0273-y · DOI
  106. 10.1071/CH09563 · DOI
  107. 10.1021/ja808424b · DOI
  108. 10.1016/j.cplett.2006.08.113 · doi:10.1016/j.cplett.2006.08.113
  109. 10.1021/ct7003148 · doi:10.1021/ct7003148
  110. 10.1021/jp8011427 · doi:10.1021/jp8011427
  111. 10.1021/jp905303g · DOI
  112. 10.1038/nature09346 · DOI · Paper page
  113. 10.1073/pnas.0701732104 · DOI · Paper page
  114. 10.1063/1.2920188 · DOI · Paper page
  115. 10.1039/b912607d · DOI
  116. 10.1063/1.3532927 · doi:10.1063/1.3532927
  117. 10.1002/qua.22867 · doi:10.1002/qua.22867
  118. 10.1142/9789812832108_0002 · DOI
  119. 10.1016/B978-044451719-7/50068-8 · doi:10.1016/b978-044451719-7/50068-8

Cited by

Metadata

Authors
Roca‐Sanjuán, D., Aquilante, F., & Lindh, R.
Venue
WIREs Computational Molecular Science
Publisher
Wiley
Published
2011-11-21
Volume
2
Issue
4
Pages
585-603
ISSN
  • 1759-0876 (ISSN-L)
  • 1759-0884
DOI
10.1002/wcms.97
OpenAlex
W1993720892
Cited by
210
References
1
FWCI
5.21
Type
journal article
Language
en
Open access
closed
Licence
onlinelibrary.wiley.com/termsAndConditions#vor (vor)

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