Recent content by Juanchotutata

Hi everyone! I am working with the theoretical solid phase diagram of water and I would like to know what negative pressure means. Thank you in advance!

I think I understand it now. Thank you very much again!

Thank you very much for your reply! But I am confused, because when I perform my calculations on Molpro (maybe you have used it), I have to specify basis sets for density fitting and basis sets for resolution of the identity. So, if they are the same, why do I have to specify it twice?

Hi everybody! I am trying to find the difference between density fitting (DF) and resolution of the Identity (RI) approximations. I have read the following in the article [J. Chem. Phys. 118, 8149 (2003)]: "Density fitting mathematically resembles a resolution of the identity RI in the...

Thank you for your elaborated answer Orodruin. I think that I've fully understood how the field transforms according to one representation or another but I've a question from the physicist view. Are there any physical difference between a field transforming in the adjoint representation or in...

Mmm I know that a representation is an application which match the elements of a group with matrices. But I'm not sure if I know what you're saying about the transformation according to a particular representation.

Thank you for your answer Orodruin!. I'm sorry if I wasnt clear. I'm physicist so maybe is the meaning of adjoint and fundamental representation what is not clear for me... I don't understand why the matter fields are in the adjoint representation or in the fundamental representation... and...

Hi! I'm doing my master thesis in AdS/CFT and I've read several times that "Fields transforms in the adjoint representation" or "Fields transforms in the fundamental representation". I've had courses in Advanced mathematics (where I studied Group theory) and QFTs, but I don't understand (or...

Hi guys! Does anyone know why the lattice parameters of a crystal calculated with PBE-D3 functional are lower than those calculated with PBE? Thanks in advance! :)

I mean, I have a E vs k space diagram like this one, for example, (but imagine that I only have one line). I know that the velocity of the electron can be described as dE/dk. So that I can relate the different slopes of each part of my line with the velocity. At the same time, I know that...

Hello! Does anyone have an idea of how can I obtain information from a band diagram about the directions along which the system conducts best and worst ? Thank you in advanced! :)

I was thinking about calculating the number of bits which would correspond to 10^(2,000,000) books and see if it is possible to represent it with a quantum computer.

Hello! If the Library of Babel has 10^(2,000,000) books, does anyone think that it is possible to create a quantum state (with a quantum computer) that represents this Library? I think that in a classical way it is impossible, but in a quantum way? I find it quite interesting! What about you? :)

Hello guys! I have to solve a problem about crystal symmetry, but I am very lost, so I wonder if anyone could guide me. The problem is the following: Using semiclassical transport theory the conductivity tensor can be defined as: σ(k)=e^2·t·v_a(k)·v_b(k) Where e is the electron charge, t...