Units of frequency obtained in Dynamical Matrix calculations

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kng208
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Units of frequency obtained in Dynamical Matrix calculations

Post by kng208 »

Hi,

I was just wondering why is the Unit of frequencies obtained from the DynMat calculations in cm ^-1?
Shouldn't it be in units of time ^-1, ie second ^-1 or Hz ?

Thanks..
graeme
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Re: Units of frequency obtained in Dynamical Matrix calculat

Post by graeme »

Chemists like wavenumbers; use the speed of light to convert.
kng208
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Joined: Wed Jun 19, 2013 2:18 pm

Re: Units of frequency obtained in Dynamical Matrix calculat

Post by kng208 »

Oh, I got it. Thank you very much.

However, two different definitions of wavenumbers are there.
How is it defined here? Is it 1/wavelength, or (2*pi)/wavelength ?
graeme
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Re: Units of frequency obtained in Dynamical Matrix calculat

Post by graeme »

1/wavelength; consistent with almost all spectroscopy data.
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