The Geometry and Property of H3+ and H4+ Molecular Ions
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Abstract
Ab initio calculations based on the levels HF and QCISD with basis set 6 311G** have been applied to the molecular ion H3+ and H4+.It is shown that the equilateral triangle(D3h )is the unique geometry for ground state of H3+,and there are 10 of possible stable geometrical configurations for H4+.At the same time,it is shown that H4+(D4h )and H(Td)geometric forms are unstable.We have discussed in detail the Jahn Teller effect for both these configurations.
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