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Analytical formulae suitable for numerical calculations of the secondand third-order auxiliary functions A2(k,m, a, b) and A3(k, ,m, a, b, c) are presented. These formulae can directly be used in highly accurate calculations of the A2(k,m, a, b) and A3(k, ,m, a, b, c) functions. In turn, the highly accurate auxiliary functions of the second and third order… (More)

- Alexei M Frolov
- Physical review. E, Statistical, nonlinear, and…
- 2006

A procedure is proposed to construct highly accurate variational wave functions with large and very large numbers of basis functions. The procedure has a number of advantages in actual computations on parallel computer clusters. In particular, by using this procedure we have determined very accurate numerical values of the ground-state energies in the… (More)

- A M Frolov
- Physical review. E, Statistical, nonlinear, and…
- 2001

Variational, multibox approach is proposed to construct extremely accurate, bound-state wave functions for arbitrary three-body systems. The high efficiency of our present approach is based on an optimal choice of nonlinear parameters in the exponential basis functions. The proposed method is very flexible, since the final wave function can also include a… (More)

- Heekyung Han, David M Wardlaw, Alexei M Frolov
- The Journal of chemical physics
- 2014

We examine the effect of decoherence and intermolecular interactions (chiral discrimination energies) on the chiral stability and the distinguishability of initially pure versus mixed states in an open chiral system. Under a two-level approximation for a system, intermolecular interactions are introduced by a mean-field theory, and interaction between a… (More)

Annihilation of the electron-positron pairs (or (e−, e)−pairs, for short) in various polyelectrons e n e− m = e− m e n (where n ≥ 1 and m ≥ 1) is considered. In particular, we discuss the threeand four-photon annihilation of the (e−, e)−pairs in the three-body Ps− ion and four-body bi-positronium system Ps2. It is shown that the five-body e + 2 e − 3 ion is… (More)

- Frank E Harris, Alexei M Frolov, Vedene H Smith
- The Journal of chemical physics
- 2004

Calculations of three-electron atomic systems in Hylleraas coordinates require integrals involving all the interparticle distances r(ij), which have usually been evaluated by introducing series expansions. For integrals with the smallest powers of r(ij) these expansions do not converge at a satisfactory rate, leading some investigators to introduce… (More)

- Frank E Harris, Alexei M Frolov, Vedene H Smith
- The Journal of chemical physics
- 2004

A paper by F. W. King, "Analysis of some integrals arising in the atomic four-electron problem", contains expressions which it is shown can be further simplified to an extent making the formulation significantly more efficient. Two errors in one of the equations are also identified.

- Alexei M Frolov
- The Journal of chemical physics
- 2006

The total energies and various bound state properties are determined to very high accuracy for the ground 1 (1)S(L=0) states in some light two-electron ions, including the Li(+), Be(2+), B(3+), and C(4+) ions. The corrections due to the finite nuclear masses and lowest order QED corrections ( approximately alpha(3)) are considered/computed for each of these… (More)

- Alexei M Frolov
- Physical review. E, Statistical, nonlinear, and…
- 2002

Recently developed multibox approach [A.M. Frolov, Phys. Rev. E 64, 036704 (2001)] is used to construct highly accurate, bound state wave functions for the ground states in the heavy adiabatic ions DT+ and T(2)+. The computed variational energies and bound state properties have significantly higher accuracy than results known from earlier computations.… (More)

- Alexei M Frolov
- The Journal of chemical physics
- 2007

The bound state properties of the ground 1 1S(L=0) state and the lowest triplet 2 3S(L=0) state of the 3He, 4He, and infinityHe helium atoms are determined to very high accuracy from the results of direct numerical computations. To compute the bound state properties of these atoms the author applied his exponential variational expansion in… (More)