Classical and semiclassical dynamics in statistical environments with a mixed dynamical and statistical representation
2016 ◽
Vol 18
(3)
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pp. 1771-1785
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Keyword(s):
We present a basic theory to study real-time chemical dynamics embedded in a statistically treated large environment. It is shown that dynamically treated molecules should run on the free-energy functional surface, if and only if the spatial gradients of temperature functional are all zero.
2015 ◽
Vol 471
(2182)
◽
pp. 20150365
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1980 ◽
Vol 101
(1)
◽
pp. 255-264
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2009 ◽
Vol 50
(6)
◽
pp. 1181-1185
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