Nodal structure of Schrödinger wavefunction: General results and specific models

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 40, Issue 5, 2007, Pages 851-867

  Lüchow, Arne ^a   Scott, Tony C ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; KINETIC ENERGY; MATHEMATICAL MODELS; MONTE CARLO METHODS; NONLINEAR EQUATIONS;

NODAL HYPERSURFACES; QUANTUM MONTE CARLO CALCULATIONS (QMC);

WAVE FUNCTIONS;

EID: 33947588129     PISSN: 09534075     EISSN: 13616455     Source Type: Journal    
DOI: 10.1088/0953-4075/40/5/003     Document Type: Article

References (23)

1. Ceperley D M 1991 J. Stat. Phys. 63 1237
2. Bressanini D and Reynolds P J 2005 Phys. Rev. Lett. 95 110201
3. Bajdich M, Mitas L, Drobn G and Wagner L K 2005 Phys. Rev. B 72 075131
4. Lipschutz M M 1969 Theory and Problems of Differential Geometry (Schaum's Outline series) (New York: McGraw-Hill)
5. Misner C W, Thorne K S and Wheeler J A 1973 Gravitation (San Francisco: Freeman)
6. Abramowitz M and Stegun I A 1972 Handbook of Mathematical Functions (New York: Dover) (9th printing, p 18)
7. http://mathworld.wolfram.com/NewtonsMethod.html
8. Sebah P and Gourdon X 2001 Newton's method and higher order iterations (http://numbers.computation.free.fr/Constants/Algorithms/newton.html)
9. Tapia R A 1971 The Kantorovich theorem for Newton's method Am. Math. Mon. 78 389-92
10. Giusti M, Lecerf G, Salvy B and Yakoubsohn J C 2005 On location and approximation of Clusters of zeroes of analytic function Found. Comput. Math. 5 257-311
11. Kestner N L and Sinanoglu O 1962 Phys. Rev. 128 2687-92
12. Kais S, Hershbach D R and Levine R D 1989 J. Chem. Phys. 91 7791
13. Taut M 1993 Phys. Rev. A 48 3561
14. Frankowski K and Pekeris C L 1966 Phys. Rev. 146 46
15. Frankowski K 1967 Phys. Rev. 160 1
16. Baker J D 1988 Variational calculations of the energies of low lying S-states of helium Masters Thesis University of Delaware
17. Freund D E, Huxtable B D and Morgan J D III 1984 Phys. Rev. A 29 980
18. Baker J D, Hill R N and Morgan J D III 1989 High precision calculations of helium atom energy levels (Relativistic, Quantum Electrodynamic, and Weak Interaction Effects in Atoms) (AIP Conf. Proc., vol 189) (New York: AIP) pp 123-45
19. Baker J D, Freund D E, Hill R N and Morgan J D III 1990 Phys. Rev. A 41 1247
20. Forrey R C, Sadeghpour H R, Baker J D, Morgan J D III and Dalgarno A 1995 Phys. Rev. A 51 2112
21. Lüchow A, Scott T C, Bressanini D and Morgan J D III 2007 submitted
22. Yanacopoulo A, Hadinger G and Aubert-Frécon M 1989 J. Phys. B. At. Mol. Opt. Phys. 22 2427
23. Lüchow A, Petz Renée and Scott T C 2007 Direct optimization of nodal hypersurfaces in approximate wave functions J. Chem. Phys. in press