Sources of uncertainty are reviewed for calculated atomic and molecular data that are
important for plasma modeling: atomic and molecular structures and cross sections for …

The research progresses on the investigations of atomic structure and collision dynamics
with highly charged ions based on the heavy ion storage rings and electron ion beam traps …

For a system without spin–orbit coupling, the (i) nuclear plus electronic linear momentum
and (ii) nuclear plus orbital electronic angular momentum are good quantum numbers. Thus …

We report calculations for the low-energy near-threshold inelastic collision cross sections
between the Li (2 s, 2 p, 3 s, 3 p)+ H (1 s) states. Results are obtained by solving the coupled …

Using a classical method, cross sections in A q++(H, H 2)(q= 1,…, 8) collisions are obtained
for impact energy ranges 9 keV amu− 1–6.4 MeV amu− 1 (ionization),–600 KeV amu− 1 …

We present a method for analytically calculating the derivative couplings between a pair of
configuration-interaction-singles (CIS) excited states obtained in an atom-centered basis …

We have calculated electron capture cross sections from atomic hydrogen with the
molecular approach to atomic collisions for impact velocities between 0.05 and 1 au The …

We present a phase-space electronic Hamiltonian $\hat {H} _ {PS} $(parameterized by both
nuclear position $\mathbf {X} $ and momentum $\mathbf {P} $) that boosts each electron into …

We demonstrate that, for systems with spin–orbit coupling and an odd number of electrons,
the standard fewest switches surface hopping algorithm does not conserve the total linear or …

Modern electronic structure theory is built around the Born–Oppenheimer approximation
and the construction of an electronic Hamiltonian H ̂ el (X) that depends on the nuclear …