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Potential energy surfaces gradient matrix

It should be clear from our discussion of potential energy surfaces that we have to examine the gradient of the electron density and the matrix of second derivatives, in order to make progress. The gradient of the electron density P(r) is, in Cartesian coordinates,... [Pg.317]

See other pages where Potential energy surfaces gradient matrix is mentioned: [Pg.2433]    [Pg.64]    [Pg.125]    [Pg.107]    [Pg.168]    [Pg.70]    [Pg.257]    [Pg.356]    [Pg.367]    [Pg.522]    [Pg.46]    [Pg.202]    [Pg.260]    [Pg.10]    [Pg.171]    [Pg.339]    [Pg.57]    [Pg.66]    [Pg.66]    [Pg.96]    [Pg.168]    [Pg.115]    [Pg.614]    [Pg.302]    [Pg.192]    [Pg.6]    [Pg.306]    [Pg.137]    [Pg.253]    [Pg.127]    [Pg.352]    [Pg.1137]    [Pg.1724]    [Pg.595]    [Pg.161]    [Pg.126]    [Pg.187]    [Pg.125]    [Pg.72]    [Pg.70]    [Pg.58]    [Pg.306]    [Pg.386]    [Pg.115]    [Pg.85]   
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