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Chin. Phys. B, 2013, Vol. 22(9): 093202    DOI: 10.1088/1674-1056/22/9/093202
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Method of accurately calculating mean field operator in multi-configuration time-dependent Hartree-Fock frame

Li Wen-Liang, Zhang Ji, Yao Hong-Bin
Xinjiang Institute of Engineering, Xinjiang 830091, China
Abstract  The accurate theoretical expressions of the mean field operator associated with the multi-configuration time-dependent Hartree-Fock (MCTDHF) method are presented in this paper. By using a theoretical formula, derived without approximation, we can study the multi-electron correlation dynamics accurately. Some illustrative calculations are carried out to check the accuracy of the expression of the mean field operator. The results of illustrative calculations indicate the reliability of the accurate expression of the mean field operator. This theoretical calculation method for the mean field operator may be of considerable help in future studies of the correlated dynamics of many-electron systems in strong laser fields.
Keywords:  strong laser field      multi-electron dynamics      mean field operator  
Received:  14 December 2012      Revised:  27 March 2013      Published:  26 July 2013
PACS:  32.80.Rm (Multiphoton ionization and excitation to highly excited states)  
  42.65.Ky (Frequency conversion; harmonic generation, including higher-order harmonic generation)  
  42.65.Re (Ultrafast processes; optical pulse generation and pulse compression)  
Fund: Project supported by the Scientific Research Program of the Higher Education Institution of Xinjiang, China (Grant No. XJEDU2012S41) and the National Natural Science Foundation of China (Grant No. 10974198).
Corresponding Authors:  Li Wen-Liang     E-mail:  wenliangli.dicp@gmail.com

Cite this article: 

Li Wen-Liang, Zhang Ji, Yao Hong-Bin Method of accurately calculating mean field operator in multi-configuration time-dependent Hartree-Fock frame 2013 Chin. Phys. B 22 093202

[1] Hu S L and Shi T Y 2013 Chin. Phys. B 22 013101
[2] Yu B H, Li Y B and Tang Q B 2013 Chin. Phys. B 22 013206
[3] Song Y D, Chen Z, Sun C K and Hu Z 2013 Chin. Phys. B 22 013302
[4] Jia X Y, Fan D H, Li W D and Chen J 2013 Chin. Phys. B 22 013303
[5] Guo F M, Chen G, Chen J G, Li S Y and Yang Y J 2013 Chin. Phys. B 22 023204
[6] Zanghellini J, Kitzler M, Fabian C, Brabec T and Scrinzi A 2003 Laser Phys. 13 1064
[7] Zanghellini J, Kitzler M, Brabec T and Scrnzi A 2004 J. Phys. B: At. Mol. Opt. Phys. 37 763
[8] Caillat J, Zhanghellini J, Kitzler M, Koch O, Kreuzer W and Scrinzi A 2005 Phys. Rev. A 71 012712
[9] Kato T and Kono H 2004 Chem. Phys. Lett. 392 533
[10] Kato T and Yamanouchi K 2009 J. Chem. Phys. 131 164118
[11] Nest M, Klamroth T and Saalfrank P 2005 J. Chem. Phys. 122 124102
[12] Nest M and Klamroth T 2005 Phys. Rev. A 72 012710
[13] Nest M 2007 J. Theor. Comput. Chem. 6 563
[14] Nest M 2009 J. Chem. Phys. 472 171
[15] Nest M, Padmanaban R and Saalfrank P 2007 J. Chem. Phys. 126 124106
[16] Haxton D J, Lawler K V and McCurdy C M 2011 Phys. Rev. A 83 063416
[17] Remacle F, Nest M and Levine R D 2007 Phys. Rev. Lett. 99 183902
[18] Nest M, Remacle F and Levine R D 2008 New J. Phys. 10 025019
[19] Meyer H D, Manthe U and Cederbaum L S 1990 Chem. Phys. Lett. 165 73
[20] Meyer H D, Manthe U and Cederbaum L S 1992 J. Chem. Phys. 97 3199
[21] Beck M H, Jackle A, Worth G A and Meyer H D 2000 Physics Reports 324 1
[22] Szabo A and Ostlund N S 1996 Modern Quantum Chemistry (New York: McGraw-Hill Inc.) Chapter 2
[23] Werner H J, Konwles P J, Amos R D, Berning A, Cooper D L, Deegan M, Dobbyn A J, Eckert F, Hampel C, Leininger T, Lindh R, Lloyd A W, Meyer W, Mura M E, Nickla A, Palmieri P, Peterson K, Pitzer R, Pulay P, Rauhut G, Schfltz M, Stoll H, Stone A J and Thoresteinsson T, MOLPRO A Package of ab initio Programs
[24] Schmidt M W, Baldridge K K, Boatz J A, Elbert S T, Gordon M S, Jensen J, Koseki S, Matsunaga N, Nguyen K, Su S, Windus T L, Dupuis M and Montgomery J A 1993 J. Comput. Chem. 14 1347
[25] Fernandez R, Lopez R, Aguado A, Ema I and Ramirez G 1998 J. Comput. Chem. 19 1284
[26] Fernandez R, Lopez R, Aguado A, Ema I and Ramirez G 2001 Int. J. Quantum Chem. 81 148
[27] Birkeland T, Nepstad R and F?rre M 2010 Phys. Rev. Lett. 104 163002
[28] Pindzola M S, Robicheaux F and Gavras P 1997 Phys. Rev. A 55 1307
[29] Grobe R and Eberly J H 1994 Phys. Rev. A 48 4664
[30] Hu S X, Collins L A and Schneider B I 2009 Phys. Rev. A 80 023426
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