Higher-order C{sub n} dispersion coefficients for hydrogen

Journal Article · Tue Mar 01 00:00:00 EST 2005 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.71.032709· OSTI ID:20650412

Mitroy, J; Bromley, M W.J. ^[1]

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1. Faculty of Technology, Charles Darwin University, Darwin NT 0909 (Australia)

The complete set of second-, third-, and fourth-order van der Waals coefficients C{sub n} up to n=32 for the H(1s)-H(1s) dimer have been determined. They are computed by diagonalizing the nonrelativistic Hamiltonian for hydrogen to obtain a set of pseudostates that are used to evaluate the appropriate sum rules. A study of the convergence pattern for n{<=}16 indicates that all the C{sub n/16} coefficients are accurate to 13 significant digits. The relative size of the fourth-order C{sub n}{sup (4)} to the second-order C{sub n}{sup (2)} coefficients is seen to increase as n increases and at n=32 the fourth-order term is actually larger.

• OSTI ID: 20650412
• Journal Information: Physical Review. A, Vol. 71, Issue 3; Other Information: DOI: 10.1103/PhysRevA.71.032709; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CONVERGENCE
DIMERS
HAMILTONIANS
HYDROGEN
HYDROGEN 1
MOLECULES
PERTURBATION THEORY
SUM RULES
VAN DER WAALS FORCES