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May
10
accepted How do I integrate the Poisson equation to determine the electric potential along a particular direction (e.g., $z$)?
May
10
accepted What are the differences between the terms flammable, inflammable, and non-flammable?
May
9
accepted In the Lennard-Jones potential, why does the attractive part (dispersion) have an $r^{-6}$ dependence?
May
8
awarded  Nice Question
May
7
asked Is there a typo in this modified Lennard-Jones potential?
May
1
comment In the Lennard-Jones potential, why does the attractive part (dispersion) have an $r^{-6}$ dependence?
@JohnRennie OK, thanks. I was thinking that the derivation would involve a dipole-dipole interaction, but I guess it is more complicated than that.
May
1
asked In the Lennard-Jones potential, why does the attractive part (dispersion) have an $r^{-6}$ dependence?
Apr
17
asked Deriving the change in the Helmholtz free energy in the context of the free energy perturbation method
Apr
12
awarded  Popular Question
Mar
10
comment The number of degrees of freedom of a monatomic gas
Thanks for your time. What if the center of mass is not at rest? Then would the system have $3N - 3$ degrees of freedom instead of $3N$?
Mar
10
comment The number of degrees of freedom of a monatomic gas
@Cheeku So each atom in my monatomic system has only translations (three of them). But I would like to compute, for example, the average kinetic energy of the entire system: $\langle K \rangle = 3N_f kT/2$, in which I think $N_f$ is indeed the number of degrees of freedom of the entire $N$ atoms/molecules, not just one of them.
Mar
10
asked The number of degrees of freedom of a monatomic gas
Feb
12
awarded  Custodian
Dec
15
asked Can one compute the vibrational spectrum of a bond by the Fourier transform of the dipole moment vector autocorrelation function $C_{\mu\mu}(t)$?
Aug
29
accepted In $\textbf{f} = -\boldsymbol{\nabla} u$, what is $u$?
Aug
27
asked In $\textbf{f} = -\boldsymbol{\nabla} u$, what is $u$?
Aug
13
comment How do I integrate the Poisson equation to determine the electric potential along a particular direction (e.g., $z$)?
@Shaktyai Yes, I know that $\phi(z = -z_0) = 0$; that is the definition that is used (albeit implicitly) in the paper. I don't think I know the value of the potential on the second plane of the slab; I think that it depends on an integral of $\rho$.
Aug
13
comment How do I integrate the Poisson equation to determine the electric potential along a particular direction (e.g., $z$)?
Thanks so much for your time. Can you please elaborate on why "the total electric field in a point $z$ is the difference of the contributions of planes before $z$ and after $z$"? How do you obtain expressions for $E_1(z)$ and $E_2(z)$ (in particular, how do you determine the limits of integration in the expressions for $E_1(z)$ and $E_2(z)$?)? Also, why is $E(z) = E_1(z) - E_2(z)$?
Aug
9
revised How do I integrate the Poisson equation to determine the electric potential along a particular direction (e.g., $z$)?
clarified question
Aug
9
accepted The appearance of volume $V$ in the Fourier series representation of a periodic cubic system