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Basis Sets for Correlated Methods

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Basis Sets in Computational Chemistry

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 107))

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Abstract

This chapter presents an overview of some of the most popular Gaussian atomic basis sets suitable for correlated calculations. The correlation problem is introduced, and the common strategies to overcome it, in wave function and density functional theories, are discussed in a context relevant to the development of basis sets. Emphasis is placed on other important considerations regarding basis sets such as contraction schemes, valence versus core correlation, and convergence toward the exact, complete basis set limit. Finally, selected basis sets are presented, along with the characteristics pertinent to their construction and successful applications.

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References

  1. Slater JC (1930) Phys Rev 36:57

    Google Scholar 

  2. Kato T (1957) Commun Pure Appl Math 10:151

    Google Scholar 

  3. Boys SF (1950) Proc Roy Soc [London] A 200:542

    Google Scholar 

  4. Stewart RF (1970) J Chem Phys 52:431

    Google Scholar 

  5. Ruedenberg K, Raffenetti RC, Bardo RD, In: Smith DW (ed) Proceedings of the 1972 boulder seminar research conference on theoretical chemistry

    Google Scholar 

  6. Huzinaga S, Klobukowski M (1985) Can J Chem 63:1812

    Google Scholar 

  7. Widmark PO, Malmqvist PA, Roos BO (1990) Theor Chim Acta 77:291

    Google Scholar 

  8. Petersson GA, Zhong S, Montgomery JA Jr, Frisch MJ (2003) J Chem Phys 118:1101

    Google Scholar 

  9. Feller D, Ruedenberg K (1979) Theor Chim Acta 52:231

    Google Scholar 

  10. Schmidt MW, Ruedenberg K (1979) J Chem Phys 71:3951

    Google Scholar 

  11. Dunning TH Jr (1970) J Chem Phys 53:2823

    Google Scholar 

  12. Raffenetti RC (1973) J Chem Phys 58:4452

    Google Scholar 

  13. Löwdin PO (1955) Phys Rev 97:1509

    Google Scholar 

  14. Shavitt I, Bartlett RJ (2009) Many-body perturbation theory and coupled-cluster methods in chemistry and physics. Cambridge University Press, Cambridge, MA

    Google Scholar 

  15. Møller C, Plesset MS (1934) Phys Rev 46:618

    Google Scholar 

  16. Bartlett RJ, Silver DM (1975) J Chem Phys 62:3258

    Google Scholar 

  17. Urban M, Noga J, Cole SJ, Bartlett RJ (1985) J Chem Phys 83:4041

    Google Scholar 

  18. Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) Chem Phys Lett 157:479

    Google Scholar 

  19. Watts JD, Gauss J, Bartlett RJ (1993) J Chem Phys 98:8718

    Google Scholar 

  20. Bartlett RJ (2010) Mol Phys 108:2905

    Google Scholar 

  21. Bartlett RJ, Musial M (2007) Rev Mod Phys 79:291

    Google Scholar 

  22. Hohenberg P, Kohn W (1964) Phys Rev 136:B864

    Google Scholar 

  23. Kohn W, Sham LJ (1965) Phys Rev 140:A1133

    Google Scholar 

  24. Zhao Y, Schultz NE, Truhlar DG (2005) J Chem Phys 123:161103

    Google Scholar 

  25. Zhao Y, Truhlar DG (2010) Theoretical and computational methods in mineral physics: geophysical applications. Mineralogical Society of America, Chantilly, VA; Reviews in Mineralogy and Geochemistry vol 71, Chap. The Minnesota Density Functionals and Their Applications to Problems in Mineralogy and Geochemistry, p 19

    Google Scholar 

  26. Becke AD (1997) J Chem Phys 107:8554

    Google Scholar 

  27. Chai JD, Head-Gordon M (2008) J Chem Phys 128:084106

    Google Scholar 

  28. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865

    Google Scholar 

  29. Perdew JP, Burke K, Ernzerhof M (1997) Phys Rev Lett 78:1396

    Google Scholar 

  30. Verma P, Bartlett RJ (2014) J Chem Phys 140:18A534

    Google Scholar 

  31. Jin Y, Bartlett RJ (2016) J Chem Phys 145:034107

    Google Scholar 

  32. Helgaker T, Jørgensen P, Olsen J (2000) Molecular electronic-structure theory. Wiley, Chichester

    Google Scholar 

  33. Schwartz C (1962) Phys Rev 126:1015

    Google Scholar 

  34. Hill RN (1985) J Chem Phys 83:1173

    Google Scholar 

  35. Kutzelnigg W (1985) Theor Chim Acta 68:445

    Google Scholar 

  36. Kutzelnigg W, Morgan JD III (1992) J Chem Phys 96:4484

    Google Scholar 

  37. Kutzelnigg W, Morgan JD III (1992) J Chem Phys 97:8821

    Google Scholar 

  38. Wang C (2013) Phys Rev A 88:032511

    Google Scholar 

  39. Wang C (2015) Phys Rev A 91:069904

    Google Scholar 

  40. Jensen F (1999) J Chem Phys 110:6601

    Google Scholar 

  41. Halkier A, Helgaker T, Jørgensen P, Klopper W, Olsen J (1999) Chem Phys Lett 302:437

    Google Scholar 

  42. Jensen F (2000) Theor Chim Acc 104:484

    Google Scholar 

  43. Christensen KA, Jensen F (2000) Chem Phys Lett 317:400

    Google Scholar 

  44. Helgaker T, Klopper W, Koch H, Noga J (1997) J Chem Phys 106:9639

    Google Scholar 

  45. Halkier A, Helgaker T, Jørgensen P, Klopper W, Koch H, Olsen J, Wilson AK (1998) Chem Phys Lett 286:243

    Google Scholar 

  46. Peterson KA, Woon DE, Dunning TH Jr (1994) J Chem Phys 100:7410

    Google Scholar 

  47. Martin JML, Lee TJ (1996) Chem Phys Lett 258:129

    Google Scholar 

  48. Martin JML (1996) Chem Phys Lett 259:669

    Google Scholar 

  49. Schwenke DW (2005) J Chem Phys 122:014107

    Google Scholar 

  50. Truhlar DG (1998) Chem Phys Lett 294:45

    Google Scholar 

  51. Varandas AJC (2000) J Chem Phys 113:8880

    Google Scholar 

  52. Huh SB, Lee JS (2003) J Chem Phys 118:3035

    Google Scholar 

  53. Bakowies D (2007) J Chem Phys 127:084105

    Google Scholar 

  54. Pansini FNN, Varandas AJC (2015) Chem Phys Lett 631–632:70

    Google Scholar 

  55. Zhong S, Barnes EC, Petersson GA (2008) J Chem Phys 129:184116

    Google Scholar 

  56. Feller D, Peterson KA, Hill JG (2011) J Chem Phys 135:044102

    Google Scholar 

  57. Feller D (2013) J Chem Phys 138:074103

    Google Scholar 

  58. Hehre WJ, Stewart RF, Pople JA (1969) J Chem Phys 51:2657

    Google Scholar 

  59. Ditchfield R, Hehre WJ, Pople JA (1971) J Chem Phys 54:724

    Google Scholar 

  60. Raghavachari K, Binkley JS, Seeger R, Pople JA (1980) J Chem Phys 72:650

    Google Scholar 

  61. Pople JA, Head-Gordon M, Fox DJ, Raghavachari K, Curtiss LA (1989) J Chem Phys 90:5622

    Google Scholar 

  62. Curtiss LA, Raghavachari K, Trucks GW, Pople JA (1991) J Chem Phys 94:7221

    Google Scholar 

  63. Curtiss LA, Raghavachari K, Redfern PC, Rassolov V, Pople JA (1998) J Chem Phys 109:7764

    Google Scholar 

  64. Curtiss LA, Redfern PC, Raghavachari K (2007) J Chem Phys 126:084108

    Google Scholar 

  65. Petersson GA, Tensfedlt TG, Montgomery JA Jr (1991) J Chem Phys 94:6091

    Google Scholar 

  66. Montgomery JA Jr, Ochterski JW, Petersson GA (1994) J Chem Phys 101:5900

    Google Scholar 

  67. Ochterski JW, Petersson GA, Montgomery JA Jr (1996) J Chem Phys 104:2598

    Google Scholar 

  68. Montgomery JA Jr, Frisch MJ, Ochterski JW, Petersson GA (1999) J Chem Phys 110:2822

    Google Scholar 

  69. Montgomery JA Jr, Frisch MJ, Ochterski JW, Petersson GA (2000) J Chem Phys 112:6532

    Google Scholar 

  70. Löwdin PO (1955) Phys Rev 97:1474

    Google Scholar 

  71. Almlöf J, Taylor PR (1987) J Chem Phys 86:4070

    Google Scholar 

  72. Almlöf J, Taylor PR (1991) Adv Quantum Chem 22:301

    Google Scholar 

  73. van Duijneveldt FB (1971) IBM Research Report RJ 945

    Google Scholar 

  74. Martin JML, Taylor PR, Lee TJ (1997) Chem Phys Lett 275:414

    Google Scholar 

  75. Martin JML, Lee TJ, Taylor PR (1998) J Chem Phys 108:676

    Google Scholar 

  76. Almlöf J, Taylor PR (1990) J Chem Phys 92:551

    Google Scholar 

  77. Widmark PO, Persson BJ, Roos BO (1991) Theor Chim Acta 79:419

    Google Scholar 

  78. Pou-Amérigo R, Merchán M, Nebot-Gil I, Widmark PO, Roos BO (1995) Theor Chim Acta 92:149

    Google Scholar 

  79. Roos BO, Veryazov V, Widmark PO (2004) Theor Chem Acc 345:111

    Google Scholar 

  80. Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO (2004) J Phys Chem A 108:2851

    Google Scholar 

  81. Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO (2005) J Phys Chem A 109:6575

    Google Scholar 

  82. Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO (2005) Chem Phys Lett 409:295

    Google Scholar 

  83. Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO, Borin AC (2008) J Phys Chem A 112:11431

    Google Scholar 

  84. Gdanitz RJ, Ahlrichs R (1988) Chem Phys Lett 143:413

    Google Scholar 

  85. Neese F, Valeev EF (2011) J Chem Theory Comput 7:33

    Google Scholar 

  86. Szalay PG, Bartlett RJ (1993) Chem Phys Lett 214:481

    Google Scholar 

  87. Claudino D, Gargano R, Bartlett R (2016) J Chem Phys 144:104106

    Google Scholar 

  88. Claudino D, Gargano R, Bartlett R (2016) J Chem Phys 145:019901

    Google Scholar 

  89. Löwdin PO (1959) J Mol Spec 3:46

    Google Scholar 

  90. Noro T, Sekiya M, Koga T (1997) Theor Chem Acc 98:25

    Google Scholar 

  91. Tatewaki H, Koga T (1996) J Chem Phys 104:8493

    Google Scholar 

  92. Tatewaki H, Koga T (1997) Theor Chem Acta 96:243

    Google Scholar 

  93. Koga T, Tatewaki H, Matsuyama H, Satoh Y (1999) Theor Chem Acc 102:105

    Google Scholar 

  94. Koga T, Yamamoto S, Shimazaki T, Tatewaki H (2002) Theor Chem Acc 108:41

    Google Scholar 

  95. Sekiya M, Noro T, Koga T, Matsuyama H (1998) J Mol Struct: Theochem 451:51

    Google Scholar 

  96. Noro T, Sekiya M, Koga T, Matsuyama H (2000) Theor Chem Acc 104:146

    Google Scholar 

  97. Sekiya M, Noro T, Osanai Y, Koga T (2001) Theor Chem Acc 106:297

    Google Scholar 

  98. Osanai Y, Sekiya M, Noro T, Koga T (2003) Mol Phys 101:65

    Google Scholar 

  99. Noro T, Sekiya M, Koga T (2003) Theor Chem Acc 109:85

    Google Scholar 

  100. Noro T, Sekiya M, Koga T (2008) Theor Chem Acc 121:289

    Google Scholar 

  101. Noro T, Sekiya M, Osanai Y, Miyoshi E, Koga T (2003) J Chem Phys 119:5142

    Google Scholar 

  102. Osanai Y, Noro T, Miyoshi E, Sekiya M, Koga T (2004) J Chem Phys 120:6408

    Google Scholar 

  103. Sekiya M, Noro T, Miyoshi E, Osanai Y, Koga T (2006) J Comput Chem 27:463

    Google Scholar 

  104. Noro T, Sekiya M, Osanai Y, Koga T, Matsuyama H (2007) J Comput Chem 28:2511

    Google Scholar 

  105. Sekiya M, Noro T, Koga T, Saito SL (2010) J Comput Chem 31:497

    Google Scholar 

  106. Noro T, Sekiya M, Koga T (2012) Theor Chem Acc 131:1124

    Google Scholar 

  107. Weber R, Hovda B, Schoendorff G, Wilson AK (2015) Chem Phys Lett 637:120

    Google Scholar 

  108. Dunning TH Jr (1989) J Chem Phys 90:1007

    Google Scholar 

  109. Wilson AK, van Mourik T, Dunning TH Jr (1996) J Mol Struct: Theochem 388:339

    Google Scholar 

  110. Woon DE, Dunning TH Jr (1993) J Chem Phys 98:1358

    Google Scholar 

  111. van Mourik T, Dunning TH Jr (2000) Int J Quantum Chem 76:205

    Google Scholar 

  112. Wilson AK, Woon DE, Peterson KA, Dunning TH Jr (1999) J Chem Phys 110:7667

    Google Scholar 

  113. Prascher B, Woon DE, Peterson KA, Dunning TH Jr, Wilson A (2011) Theor Chem Acc 128:69

    Google Scholar 

  114. Woon DE, Dunning TH Jr (1995) J Chem Phys 103:4572

    Google Scholar 

  115. Hill JG, Mazumder S, Peterson KA (2010) J Chem Phys 132:054108

    Google Scholar 

  116. Peterson KA, Dunning TH Jr (2002) J Chem Phys 117:10548

    Google Scholar 

  117. DeYonker NJ, Peterson KA, Wilson AK (2007) J Phys Chem A 111:11383

    Google Scholar 

  118. Balabanov NB, Peterson KA (2005) J Chem Phys 123:064107

    Google Scholar 

  119. Kendall RA, Dunning TH Jr, Harrison RJ (1992) J Chem Phys 96:6796

    Google Scholar 

  120. Martin JML, de Oliveira G (1999) J Chem Phys 111:1843

    Google Scholar 

  121. Boese AD, Oren M, Atasoylu O, Martin JML, Kállay M, Gauss J (2004) J Chem Phys 120:4129

    Google Scholar 

  122. Karton A, Rabinovich E, Martin JML, Ruscic B (2006) J Chem Phys 125:144108

    Google Scholar 

  123. Tatji A, Szalay PG, Császár A, Kállay M, Gauss J, Valeev EF, Flowers BA, Vázquez J, Stanton JF (2004) J Chem Phys 121:11599

    Google Scholar 

  124. Bomble YJ, Vázquez J, Kállay M, Michauk C, Szalay PG, Császár AG, Gauss J, Stanton JF (2006) J Chem Phys 125:064108

    Google Scholar 

  125. Harding ME, Vázquez J, Ruscic B, Wilson AK, Gauss J, Stanton JF (2008) J Chem Phys 128:114111

    Google Scholar 

  126. DeYonker NJ, Cundari TR, Wilson AK (2006) J Chem Phys 124:114104

    Google Scholar 

  127. de Jong WA, Harrison RJ, Dixon DA (2001) J Chem Phys 114:48

    Google Scholar 

  128. Peterson KA (2003) J Chem Phys 119:11099

    Google Scholar 

  129. Peterson KA, Puzzarini C (2005) Theor Chem Acc 114:283

    Google Scholar 

  130. Peterson KA, Figgen D, Dolg M, Stoll H (2007) J Chem Phys 126:124101

    Google Scholar 

  131. Figgen D, Peterson KA, Dolg M, Stoll H (2009) J Chem Phys 130:164108

    Google Scholar 

  132. Peterson KA, Yousaf KE (2010) J Chem Phys 133:174116

    Google Scholar 

  133. Peterson KA, Adler TB, Werner HJ (2008) J Chem Phys 128:084102

    Google Scholar 

  134. Hill JG, Peterson KA (2010) Phys Chem Chem Phys 12:10460

    Google Scholar 

  135. Weigend F (2002) Phys Chem Chem Phys 4:4285

    Google Scholar 

  136. Weigend F, Köhn A, Hättig C (2002) J Chem Phys 116:3175

    Google Scholar 

  137. Davidson ER, Feller D (1986) Chem Rev 86:681

    Google Scholar 

  138. Barnes EC, Petersson GA (2010) J Chem Phys 132:114111

    Google Scholar 

  139. Ranasinghe DS, Petersson GA (2013) J Chem Phys 138:144104

    Google Scholar 

  140. Ranasinghe DS, Frisch MJ, Petersson GA (2015) J Chem Phys 143:214110

    Google Scholar 

  141. Jorge FE, de Castro EVR (1999) Chem Phys Lett 302:454

    Google Scholar 

  142. Canal Neto A, Muniz EP, Centoducatte R, Jorge FE (2005) J Mol Struct: Theochem 718:219

    Google Scholar 

  143. Barbieri PL, Fantin PA, Jorge FE (2006) Mol Phys 104:2945

    Google Scholar 

  144. Jorge FE, Sagrillo PS, de Oliveira AR (2006) Chem Phys Lett 432:558

    Google Scholar 

  145. Campos CT, Ceolin GA, Canal Neto A, Jorge FE, Pansini FNN (2011) Chem Phys Lett 516:125

    Google Scholar 

  146. Camiletti GG, Machado SF, Jorge FE (2008) J Comput Chem 29:2434

    Google Scholar 

  147. Machado SF, Camiletti GG, Canal Neto A, Jorge FE, Jorge RS (2009) Mol Phys 107:1713

    Google Scholar 

  148. Ceolin G, de Berrêdo RC, Jorge FE (2013) Theor Chem Acc 132:1339

    Google Scholar 

  149. Barros CL, de Oliveira PJP, Jorge FE, Canal Neto A, Campos M (1965) Mol Phys 108:1965

    Google Scholar 

  150. Campos CT, Jorge FE (2013) Mol Phys 111:167

    Google Scholar 

  151. Fantin PA, Barbieri PL, Canal Neto A, Jorge FE (2007) J Mol Struct: Theochem 810:103

    Google Scholar 

  152. de Oliveira PJP, Jorge FE (2008) Chem Phys Lett 463:235

    Google Scholar 

  153. Camiletti GG, Canal Neto A, Jorge FE, Machado SF (2009) J Mol Struct: Theochem 910:122

    Google Scholar 

  154. Martins LSC, de Souza FAL, Ceolin GA, Jorge FE, de Berrêdo RC, Campos CT (2013) Comput Theor Chem 1013:62

    Google Scholar 

  155. de Oliveira PJP, Barros CL, Jorge FE, Canal Neto A, Campos M (2010) J Mol Struct: Theochem 948:43

    Google Scholar 

  156. Campos CT, Jorge FE (2009) Int J Quantum Chem 109:285

    Google Scholar 

  157. de Oliveira PJP, Jorge FE (2008) J Phys B: At Mol Opt Phys 41:145101

    Google Scholar 

  158. de Souza FAL, Jorge FE (2013) J Braz Chem Soc. 24:1357

    Google Scholar 

  159. Jensen F (2001) J Chem Phys 115:9113

    Google Scholar 

  160. Jensen F (2002) J Chem Phys 116:3502

    Google Scholar 

  161. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785

    Google Scholar 

  162. Becke AD (1988) Phys Rev A 38:3098

    Google Scholar 

  163. Jensen F (2002) J Chem Phys 116:7372

    Google Scholar 

  164. Jensen F (2005) Chem Phys Lett 402:510

    Google Scholar 

  165. Jensen F (2002) J Chem Phys 117:9234

    Google Scholar 

  166. Jensen F (2003) J Chem Phys 118:2459

    Google Scholar 

  167. Jensen F, Helgaker T (2004) J Chem Phys 121:3463

    Google Scholar 

  168. Jensen F (2007) J Phys Chem A 111:11198

    Google Scholar 

  169. Jensen F (2012) J Chem Phys 136:114107

    Google Scholar 

  170. Jensen F (2013) J Chem Phys 138:014107

    Google Scholar 

  171. Jensen F (2005) J Chem Phys 122:074111

    Google Scholar 

  172. Jensen F (2014) J Chem Theory Comput 10:1074

    Google Scholar 

  173. Jensen F (2015) J Chem Theory Comput 11:132

    Google Scholar 

  174. Buczek A, Kupka T, Broda MA (2011) J Mol Model 17:2029

    Google Scholar 

  175. Buczek A, Kupka T, Broda MA (2011) J Mol Model 17:2265

    Google Scholar 

  176. Broda MA, Buczek A, Kupka T, Kaminsky J (2012) Vib Spectrosc 63:432

    Google Scholar 

  177. Buczek A, Kupka T, Broda MA, Żiła A (2016) J Mol Model 22:42

    Google Scholar 

  178. Boese AD, Klopper W, Martin JML (2005) Int J Quantum Chem 104:830

    Google Scholar 

  179. Levi C, Martin JML, Bar I (2005) Int J Quantum Chem 104:830

    Google Scholar 

  180. Faber R, Buczek A, Kupka T, Sauer SPA (2017) Mol Phys 115:144

    Google Scholar 

  181. Jensen F (2009) Theor Chem Acc 126:371

    Google Scholar 

  182. Jensen F (2008) J Chem Theory Comput 4:719

    Google Scholar 

  183. Kupka T, Nieradka M, Stachów M, Pluta T, Nowak P, Kæjr H, Kongsted J, Kaminsky J (2012) J Phys Chem A 116:3728

    Google Scholar 

  184. Rusakov YY, Krivdin LB (2013) Russ Chem Rev 82:99

    Google Scholar 

  185. Witte J, Neaton JB, Head-Gordon M (2016) J Chem Phys 144:194306

    Google Scholar 

  186. ElSohly AM, Tschumper GS (2009) Int J Quantum Chem 109:91

    Google Scholar 

  187. Suponitsky KY, Tafur S, Masurov AE (2008) J Chem Phys 129:044109

    Google Scholar 

  188. Wang NX, Wilson AK (2005) Mol Phys 103:345

    Google Scholar 

  189. Shavitt I (1993) Isr J Chem 33:357

    Google Scholar 

  190. Jensen F (2013) WIREs Comput Mol Sci. 3:273

    Google Scholar 

  191. Feller D (1996) J Comput Chem 17(13):1571

    Google Scholar 

  192. Schuchardt KL, Didier BT, Elsethagen T, Sun L, Gurumoorthi V, Chase J, Li J, Windus TL (2007) J. Chem Inf Model 47:1045

    Google Scholar 

  193. Pritchard BP, Altarawy D, Didier B, Gibson TD, Windus TL (2019) J Chem Inf Model 59(11):4814–4820. https://doi.org/10.1021/acs.jcim.9b00725

  194. Adamowicz L, Bartlett RJ, McCullough EA Jr (1985) Phys Rev Lett 54:426

    Google Scholar 

  195. Becke AD (1988) J Chem Phys 88:2547

    Google Scholar 

  196. Shiozaki T, Hirata S (2007) Phys Rev A 76:040503

    Google Scholar 

  197. Hirata S, Shiozaki T, Johnson CM, Talman JD (2017) Mol Phys 115:510

    Google Scholar 

  198. Harrison RJ, Beylkin G, Bischoff FA, Calvin JA, Fann GI, Fosso-Tande J, Galindo D, Hammond JR, Hartman-Baker R, Hill JC, Jia J, Kottmann JS, Yvonne Ou M, Pei J, Ratcliff LE, Reuter MG, Richie-Halford AC, Romero NA, Sekino H, Shelton WA, Sundahl BE, Thornton WS, Valeev EF, Vázquez-Mayagoitia A, Vence N, Yanai T, Yokoi Y (2017) SIAM J Sci Comput 38:S123

    Google Scholar 

  199. Claudino D, Bartlett RJ (2018) J. Chem. Phys. 149:064105. https://doi.org/10.1063/1.5039741

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  1. University of Florida, Gainesville, FL, 32611, USA

    Daniel Claudino & Rodney J. Bartlett

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  1. Department of Chemistry, University of California, Irvine, CA, USA

    Eva Perlt

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Claudino, D., Bartlett, R.J. (2021). Basis Sets for Correlated Methods. In: Perlt, E. (eds) Basis Sets in Computational Chemistry. Lecture Notes in Chemistry, vol 107. Springer, Cham. https://doi.org/10.1007/978-3-030-67262-1_5

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