Abstract
The ground state energy, the mean square displacement of the molecules, the lattice constant, and the effective quadrupole-quadrupole coupling constant are calculated variationally and compared with the experiments. Both the orientationally ordered fcc-phases and the hcp-phases are considered. Nosanow's cluster expansion is used and its convergence is discussed.
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Supported by the Bundesministerium für Bildung und Wissenschaft der Bundesrepublik Deutschland under grant number PF 4.004. Dissertation D 82.
It is a pleasure for me to thank Professor Leibfried for his interest and encouragement and Professor Biem for his constant advice and help.—All numerical calculations have been performed on a “Control Data 6400” of the Rechenzentrum, Technische Hochschule Aachen.
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Mertens, F.G. Ground state calculations for solid hydrogen and deuterium. Z. Physik 250, 1–13 (1972). https://doi.org/10.1007/BF01386888
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DOI: https://doi.org/10.1007/BF01386888