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While variational 4-component methods can yield meV to sub-meV accuracy, the additional computational cost prevents their more widespread use in quantum chemistry. In addition to the cost, there are unique technical challenges that arise in solving the Dirac equation variationally…
The prospect of controlling chemical processes via strong light-matter coupling has recently been the subject of much theoretical and experimental interest…
The prospect of controlling chemical processes via strong light-matter coupling has recently been the subject of much theoretical and experimental interest…
While it's established that strong light-matter coupling can markedly influence electronic excited states, its effects on the electronic ground state remain elusive…