Questions tagged [transition-temperature]

Questions about transition temperature, i.e., the temperature at which a substance acquires or loses a distinctive property, in particular superconductivity.

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Does it make any sense to run a TD-DFT calculation with Finite-Temperature SCF active?

I recently received the task to investigate what is happening in a fluorescent molecule in different temperatures. How the electronic population is changing and how is this affecting the electronic ...
HCSthe2nd's user avatar
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12 votes
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What limits the accuracy of ab initio methods in predicting the transition temperature of conventional superconductors?

Here I assume that conventional superconductors refer to materials that undergo a superconducting transition at low temperature as described by the Bardeen-Cooper-Schrieffer theory (BCS). For those ...
pldd86's user avatar
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