Ab initio configuration-interaction computations which invoke an effective core potential approximation are used to describe the 26 lowest-lying states of $Li_{2}$. The quality of the computations are assessed by an analysis of the asymptotic long-range behavior of the potentials and by a comparison of the computed vibrational energy levels with those deduced from spectra. Typical asymptotic results are: $C_{6} = 1430 (1400) e^{2}{a_{0}}^{5}$ for the $1 ^{1}{\Sigma^{+}}_{g}$ and $1^{3}{\Sigma^{+}}_{u}$ states: $C_{3} = 11.14 (11.04) e^{2}{a_{0}}^{2}$ for the $2^{1}{\Sigma^{+}}_{g}$ and $2^{3}{\Sigma^{+}}_{u}$ states. (Literature values are in parenthesis). Scaling the calculated $1^{1}{\Sigma^{+}}_{g}$ potential curve against observed vibra...
<div><p>The potential energy curves and dipole moments of the low-lying electronic states of LiF mol...
Despite only having 6$e^-$, the most sophisticated Li$_2(b,1^3Pi_u)$ calculationfootnote{Musial & Ku...
Three-dimensional potential energy surfaces (PESs) have been computed, and numerically fitted, for t...
Ab initio configuration-interaction computations which invoke an effective core potential approximat...
$^{1}D$. D. Konowalow and M. L. Olson, Paper RG2, 32nd Symposium on Molecular Spectroscopy, The Ohio...
$^{1}$M. M. Hessel, private communication; and D. K. Hsu, Ph.D. dissertation, Fordham University, 19...
We built a full-dimensional analytical potential energy surface of the ground electronic state of Li...
We report adiabatic potential energy curves of the Li2+ molecule. Our curves are tabulated according...
Electronic states of the molecular lithium anion are investigated by configuration-interaction calc...
[1] Abraham et al., J. Chem. Phys. 103, 773 (1995) [2] Linton et al., J. Mol. Spec. 00, 00 (1996) [3...
Author Institution: Chemistry Division, Argonne National Laboratory; Computer Center, University of ...
We performed CAS-CI calculations on Li2 using a set of molecular orbitals (MO) optimized with a proc...
Being the simplest uncharged homonuclear dimer after H$_2$ that has a stable ground state, Li$_2$ is...
International audienceThe molecular bonding in the excited states of the alkali dimers involves the ...
$^{1}$ On leave from Physics Department, University of New Brunswick, Box 4400, Fredericton, N.B., C...
<div><p>The potential energy curves and dipole moments of the low-lying electronic states of LiF mol...
Despite only having 6$e^-$, the most sophisticated Li$_2(b,1^3Pi_u)$ calculationfootnote{Musial & Ku...
Three-dimensional potential energy surfaces (PESs) have been computed, and numerically fitted, for t...
Ab initio configuration-interaction computations which invoke an effective core potential approximat...
$^{1}D$. D. Konowalow and M. L. Olson, Paper RG2, 32nd Symposium on Molecular Spectroscopy, The Ohio...
$^{1}$M. M. Hessel, private communication; and D. K. Hsu, Ph.D. dissertation, Fordham University, 19...
We built a full-dimensional analytical potential energy surface of the ground electronic state of Li...
We report adiabatic potential energy curves of the Li2+ molecule. Our curves are tabulated according...
Electronic states of the molecular lithium anion are investigated by configuration-interaction calc...
[1] Abraham et al., J. Chem. Phys. 103, 773 (1995) [2] Linton et al., J. Mol. Spec. 00, 00 (1996) [3...
Author Institution: Chemistry Division, Argonne National Laboratory; Computer Center, University of ...
We performed CAS-CI calculations on Li2 using a set of molecular orbitals (MO) optimized with a proc...
Being the simplest uncharged homonuclear dimer after H$_2$ that has a stable ground state, Li$_2$ is...
International audienceThe molecular bonding in the excited states of the alkali dimers involves the ...
$^{1}$ On leave from Physics Department, University of New Brunswick, Box 4400, Fredericton, N.B., C...
<div><p>The potential energy curves and dipole moments of the low-lying electronic states of LiF mol...
Despite only having 6$e^-$, the most sophisticated Li$_2(b,1^3Pi_u)$ calculationfootnote{Musial & Ku...
Three-dimensional potential energy surfaces (PESs) have been computed, and numerically fitted, for t...