2001The Journal of Chemical PhysicsRequires access

Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO–H2O radical complex

Yumin Li, Joseph S. Francisco

Open publisher page 18 citations

Abstract

The vertical excited states for the three lowest excited states of the ClO–H2O radical complex are calculated with complete active space self-consistent field and multireference configuration interaction and methods. A new state unique to the complex is reported.

About this research paper

What this paper is about

The vertical excited states for the three lowest excited states of the ClO–H2O radical complex are calculated with complete active space self-consistent field and multireference configuration interaction and methods. A new state unique to the complex is reported.

Why it matters

OpenAlex reports 18 citations for this work. Citation counts describe recorded attention and do not establish research quality.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

The vertical excited states for the three lowest excited states of the ClO–H2O radical complex are calculated with complete active space self-consistent field and multireference configuration interaction and methods. A new state unique to the complex is reported.

Key concepts: Multireference configuration interaction, Complete active space, Excited state, Configuration interaction, Self consistent, Atomic physics, Field (mathematics), Chemistry

Related papers

Back to paper searchBrowse research topicsOriginal source
Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO–H2O radical complex — Research Paper | ScholarLens