How to solve this integral in 3D?

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I am willing to compute the Fourier transformation of the following function:

$$ \Phi(r) = (I\Delta - \nabla \nabla )[r\operatorname{erf}(\xi r)] $$

Where, $r = X-X_0$, $\xi$ is a positive constant, $\phi$ is a $3\times 3$ matrix and $I\Delta$ is a diagonal matrix with laplacian operator on the diagonal and $\nabla \nabla$ is a matrix which has $\frac{\partial^2}{\partial x_i \partial x_j}$ in its $i$th row and $j$th column.

To compute the Fourier transformation one needs to compute:

$$ \hat{\Phi}(k,\hat{x_0}) = \int_{\mathbb{R}^3} \exp(ik\cdot X)(I\Delta - \nabla \nabla )[r\ \operatorname{erf}(\xi r)]d^3X $$

where $k$ is a three dimensional phase vector and $i= \sqrt{-1}$. The following step in computing this integral is unclear for me:

$$ \int_{\mathbb{R}^3} \exp(ik\cdot X)(I\Delta - \nabla \nabla )[r\operatorname{erf}(\xi r)]d^3X = (-I|k|^2+kk^T)\int_{\mathbb{R}^3} \exp(ik\cdot X)r\operatorname{erf}(\xi r)d^3X $$

My guess is that they somehow moved the differential operators from $r\operatorname{erf}(\xi r)$ to $\exp(ik\cdot X)$. But can someone please help me understand how is this possible?

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Moving the differential operator from one factor to the other under the integral sign is just integration by parts. In multiple dimensions, this is also called the Green's identity.

http://en.wikipedia.org/wiki/Green%27s_identities

Let's write

$$f=\exp(ik\cdot X)$$ and $$\vec{v}=r\operatorname{erf}(\xi r)$$

You are integrating

$$f(\partial_j\partial_j v_i-\partial_i \partial_j v_j)$$ where I used the summation convention (imagine sums over the repeated index $j$). Index notation is almost necessary, because we are working with combinations of indices and derivatives that are hard to write with $\nabla$.

To extract the second term, write $$\partial_j(f \partial_i v_j)=(\partial_j f)(\partial_i v_j)+f(\partial_i\partial_j v_j)$$ For the first term: $$\partial_j(f\partial_j v_i)=(\partial_j f)(\partial_j v_i)+f(\partial_j\partial_j v_i)$$

You can now write your integrand as: $$f(\partial_j\partial_j v_i-\partial_i \partial_j v_j)= \partial_j(f\partial_j v_i-f \partial_i v_j)-(\partial_j f)(\partial_j v_i)+(\partial_j f)(\partial_i v_j) $$

The first term is something we wish to cancel out or send to zero. Last two still need a bit of work:

$$\partial_j(f(\partial_j v_i))=(\partial_j\partial_j f)v_i+(\partial_j f)(\partial_j v_i)$$ $$\partial_j(f(\partial_i v_j))=(\partial_j\partial_i f)v_j+(\partial_i f)(\partial_j v_j)$$

Rearrange and plug into the expression above: $$f(\partial_j\partial_j v_i-\partial_i \partial_j v_j)= \partial_j(f\partial_j v_i-f \partial_i v_j)-\partial_j(f(\partial_j v_i))+(\partial_j\partial_j f)v_i +\partial_j(f(\partial_i v_j))-(\partial_j\partial_i f)v_j =(\partial_j\partial_j f)v_i-(\partial_j\partial_i f)v_j$$

This is exactly what you wanted! Using $f=(\exp{ik\cdot X})$, you get $$=(-k_j k_j f)v_i-(-k_j k_i f)v_j=-(|k|^2I-\vec{k}\otimes \vec{k})f\vec{v}$$

p.s. did you get this operator from a double curl?