By combining macroscopic QED with Quantum Electrodynamical DFT, authors developed an ab-initio method to model strongly coupled light-matter systems. Check it out: https://t.co/YKCh0jCSPx
La ley establecerá […] expulsión en el menor tiempo posible, según corresponda, de aquellos extranjeros que hayan [..] cumplido en Chile una pena de presidio efectivo por crímenes o simples delitos. Es el mismo texto que dice que En Chile no hay persona ni grupo privilegiado
@OmniOrej@LatinXChem@digital_rsc@PCCP@ChemRxiv@LufacIDT@uandresbello Muy bonito el trabajo Jerónimo. No me queda clara la diferencia entre el potencial químico del baño y tu potencial mu_s. Si el sistema está en equilibrio con el baño, por qué no son diferentes ? No es justamente esto justamente lo que aparece en el operador de energía libre ?
@LuisEdSeijas@LatinXChem@PCCP Hi Luis. I wonder how realistic are finite models for a cocrystal, which is a infinite system? Any reason no not use periodic boundary conditions to simulate the cell of the crystal ?
@eddMayo@LatinXChem@digital_rsc@PCCP@ChemRxiv@LufacIDT Great work Eduardo. I wonder if even a simpler approximation such as an extender Huckel would do the job for these systems … as you said, there is “little” diversity in this sector of the chemical space and it may be possible that properties are mainly dictated by topology
@JorgeLCastro316 @LatinXChem@digital_rsc@PCCP@ChemRxiv@LufacIDT Hi Jorge! Lovely work. I have few questions: 1) what would be the role of ergodocity (or lack of it) I the ficticios Hamiltonian? 2) why is it that classical work is lees than the quatum?
@lunamgcg@LatinXChem@digital_rsc@PCCP@ChemRxiv Beautiful work Guadalupe! I have few questions: 1) I what sense this fuctional is asymptotically corrected? 2) what is the rationale behind the shifting ? 3) can the shift be used with other functionals?
@alanqf22@LatinXChem@theochemmerida@VioletaDzib Hi Alan! I wonder how do you keep control on the suitability of the model barriers you use for tunneling rates. What do you do in cases where an Eckart function is not realistic for instance ?