The all configuration mean energy multiconfiguration self-consistent-field method. I. Equal configuration weights

Calculation of barriers to proton transfer using variations of multiconfiguration self‐consistent‐field methods. II. Configuration interaction

Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems.

A new continuous configuration time-dependent self-consistent field method has been developed to study polyatomic dynamical problems by using the discrete variable representation for the reaction system, and applied to a reaction system coupled to a bath. The method is very efficient because the equations involved are as simple as those in the traditional single configuration approach, and can ...

Synthesis of mean-field and shell-model configuration-mixing methods

The Mean-Field (MF) and Shell-Model Configuration-Mixing (SMCM) methods are two microscopic approaches for calculating the nuclear masses which are complementary to each other. However, one usually finds them used in isolation from each other. In this talk I will review the strengths of these methods as well as their limitations. They are contrasted by the type of data which are used to constra...

The Multiconfigurational Self-Consistent-Field Method

These notes describe the multiconfigurational self-consistent-field (MCSCF) method, which is a general approach for describing chemical systems in which a single electron configuration is no longer an adequate description of the electronic structure. This commonly happens in reactions that break or form chemical bonds, diradicals, and metals of the first transition row. A single-determinant, re...

, - - Formex Configuration Processing I

This is the first paper in a series of papers that are intended to cover the present state of knowledge in the field of formex configuration processing. This field of knowledge has been developed during the last three decades and has now reached a level of maturity that makes it an ideal medium for configuration processing in many disciplines. In particular, it provides a rich assortment of con...