Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Optimal orbitals from energy fluctuations in correlated wave functions   A quantum Monte Carlo method of determining Jastrow-Slater wave functions for
which the energy is stationary with respect to variations in the
single-particle orbitals is presented. A potential is determined by a
least-squares fitting of fluctuations in the energy with a linear combination
of one-body operators. This potential is used in a self-consistent scheme for
the orbitals whose solution ensures that the energy of the correlated wave
function is stationary with respect to variations in the orbitals. The method
is feasible for atoms, molecules, and solids and is demonstrated for the carbon
and neon atoms.

17
The categories of this paper are: q-fin
30
The categories of this paper are: q-alg
16
The categories of this paper are: stat
12
The categories of this paper are: nucl-th
5
The categories of this paper are: gr-qc
25
The categories of this paper are: patt-sol
22
The categories of this paper are: chao-dyn
27
The categories of this paper are: comp-gas
23
The categories of this paper are: solv-int
28
The categories of this paper are: alg-geom
10
The categories of this paper are: q-bio
1
The categories of this paper are: cs
0
The categories of this paper are: hep-ph
36
The categories of this paper are: cmp-lg
34
The categories of this paper are: chem-ph
35
The categories of this paper are: mtrl-th