A fully three‐dimensional finite element method calculation for the vibrational levels of H 2 O and D 2 O | Zendy

Neto J. J. Soares | Zendy; Linderberg Jan | Zendy

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A fully three‐dimensional finite element method calculation for the vibrational levels of H 2 O and D 2 O

Author(s) -

Neto J. J. Soares,

Linderberg Jan

Publication year - 1991

Publication title -

journal of computational chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.907

H-Index - 188

eISSN - 1096-987X

pISSN - 0192-8651

DOI - 10.1002/jcc.540121011

Subject(s) - rotational–vibrational spectroscopy , finite element method , element (criminal law) , schrödinger equation , physics , mathematics , matrix element , mathematical analysis , quantum mechanics , mathematical physics , atomic physics , thermodynamics , molecule , political science , law , particle physics

A finite element method approach for solving the three‐dimensional Schrödinger equation expressed in hyperspherical coordinates is applied to the calculation of rovibrational states of H 2 O and D 2 O. Comparisons to experimental values and other theoretical calculations are offered.

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