Spectral shift of sodium in a liquid-helium environment: A sequential Monte Carlo time-dependent density-functional-theory study

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 72, Issue 6, 2005, Pages

  Ludwig, Valdemir ^a   Mukherjee, Prasanta K ^b   Coutinho, Kaline ^a   Canuto, Sylvio ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MONTE CARLO METHODS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SODIUM;

BLUESHIFT; LIQUID-HELIUM; PERDEW NONLOCAL CORRELATION FUNCTIONAL MODELS; SPECTRAL SHIFT;

SUPERFLUID HELIUM;

EID: 33244471546     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.72.062714     Document Type: Article

References (35)

1. B. Tabbert, H. Günther, and G. zu Putlitz, J. Low Temp. Phys. JLTPAC 0022-2291 10.1023/A:1022245700833 109, 653 (1997), and references therein.
2. B. Tabbert, M. Beau, H. Günther, W. Häubler, C. Hönninger, K. Meyer, B. Plagemann, and G. zu Putlitz, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/BF01317225 97, 425 (1995).
3. T. Yabuzaki, T. Kinoshita, K. Fukuda, and Y. Takahashi, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/BF01338407 98, 367 (1995).
4. Q. Hui, J. L. Persson, J. H. M. Beijersbergen, and M. Takami, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/BF01338404 98, 353 (1995).
5. H. Bauer, M. Beau, A. Bernhardt, B. Friedel, and H. J. Reyher, Phys. Lett. A PYLAAG 0375-9601 10.1016/0375-9601(89)90216-8 137, 217 (1989).
6. H. Bauer, M. Beau, J. Fisher, H. J. Reyher, J. Rosenkranz, and K. Venter, Physica B PHYBE3 0921-4526 165&166, 137 (1990).
7. T. Yabuzaki, A. Fujisaki, K. Sano, T. Kinoshita, and Y. Takahashi, in Atomic Physics B, edited by, H. Walther, and, T. W. Hänsch, (North-Holland, New York, 1992).
8. Y. Takahashi, K. Sano, T. Kinoshita, and T. Yabuzaki, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71.1035 71, 1035 (1993).
9. M. Beau, H. Günther, G. zu Putlitz, and B. Tabbert, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/s002570050207 101, 253 (1996).
10. F. Dalfovo, Z. Phys. D: At., Mol. Clusters ZDACE2 0178-7683 10.1007/BF01437166 29, 61 (1994).
11. F. Ancilotto, E. Cheng, M. W. Cole, and F. Toigo, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/BF01338398 98, 323 (1995).
12. J. Dupont-Roc, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/BF01338410 98, 383 (1995).
13. J. Ispann, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 10.1007/BF01338415 98, 405 (1995).
14. G. De Toffol, F. Ancilotto, and F. Toigo, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/BF00755121 102, 381 (1996).
15. K. Coutinho and S. Canuto, Adv. Quantum Chem. AQCHA9 0065-3276 28, 89 (1997).
16. K. Coutinho and S. Canuto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1320827 113, 9132 (2000).
17. K. Coutinho and S. Canuto, J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 10.1016/S0166-1280(03)00302-6 632, 235 (2003).
18. V. Ludwig, K. Coutinho, and S. Canuto, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.214110 70, 214110 (2004).
19. N. Metropolis, A. W. Rosenbluth, A. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1699114 21, 1087 (1953).
20. J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. JCPSA6 0021-9606 89, 5968 (1988).
21. K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466884 100, 7410 (1994).
22. F. Luo, C. F. Giese, and R. Gentry, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470771 104, 1151 (1996).
23. W. Cencek, M. Jaziorska, R. Bukowski, M. Jaszunski, B. Jeziorski, and K. Szalewicz, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp0367934 108, 3211 (2004).
24. H. L. Williams, T. Korona, R. Bukowski, B. Jeziorski, and K. Szalewicz, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)01078-0 262, 431 (1996).
25. T. Mourik and J. H. Lenthe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.469060 102, 7479 (1995).
26. S. H. Patil, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460091 94, 8089 (1991).
27. K. Coutinho, S. Canuto, and M. C. Zerner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481624 112, 9874 (2000).
28. T. Malaspina, K. Coutinho, and S. Canuto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1485963 117, 1692 (2002).
29. K. Coutinho and S. Canuto, DICE (version 2.8): A general Monte Carlo program for liquid simulation, University of São Paulo, 2002.
30. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (1997).
31. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
32. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
33. J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986).
34. M. J. Frisch, Gaussian-03, Revision B.04, Gaussian Inc., Pittsburgh, PA, 2003.
35. A. Nakayama and K. Yamashita, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1322071 114, 780 (2001).