Comment on 'Energy partitioning schemes: a dilemma' [I. Mayer, Faraday Discuss., (2007) 135, 439]

Details Comment on 'Energy partitioning schemes: a dilemma' [I. Mayer, Faraday Discuss., (2007) 135, 439] Comment on 'Energy partitioning schemes: a dilemma' [I. Mayer, Faraday Discuss., (2007) 135, 439]

2011-04-19

arxiv.org/abs/1104.3780v1

Physics

Chemical Physics

5 pages, 1 figure

Scientific paper

A study of some decomposition schemes of the molecular energy into one- and
two-center contributions published in the above mentioned journal highlights
the importance of a 'dilemma' raised in such decompositions. Even more, it has
been recently assigned a prominent role in the promotion energy mechanism. This
critical comment clarifies the validity of such a 'dilemma'.

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