Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
}
TY - JOUR
T1 - A variational Monte Carlo study of positronic compounds using inhomogeneous backflow transformations
AU - Kita, Y.
AU - Tachikawa, M.
AU - Drummond, Neil
AU - Needs, R. J.
PY - 2010
Y1 - 2010
N2 - A variational Monte Carlo study using inhomogeneous backflow transformations is reported for the [H−;e+] and [Li−;e+] positronic compounds. The backflow transformations greatly improve the total energies, positron affinities, and two-photon annihilation rates. The Slater–Jastrow-backflow trial wave function is well suited to the theoretical analysis of positronic compounds.
AB - A variational Monte Carlo study using inhomogeneous backflow transformations is reported for the [H−;e+] and [Li−;e+] positronic compounds. The backflow transformations greatly improve the total energies, positron affinities, and two-photon annihilation rates. The Slater–Jastrow-backflow trial wave function is well suited to the theoretical analysis of positronic compounds.
U2 - 10.1246/cl.2010.1136
DO - 10.1246/cl.2010.1136
M3 - Journal article
VL - 39
SP - 1136
EP - 1137
JO - Chemistry Letters
JF - Chemistry Letters
SN - 0366-7022
IS - 11
ER -