Solving the Schrödinger equation of the hydrogen molecule with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of Π symmetry-Reference-Cited by-同舟云学术

Solving the Schrödinger equation of the hydrogen molecule with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of Π symmetry

Published:2020 Issue:24 Volume:22 Page:13489-13497
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kurokawa Yusaku I.¹²³⁴⁵^ORCID,Nakashima Hiroyuki¹²³⁴⁵^ORCID,Nakatsuji Hiroshi¹²³⁴⁵^ORCID

Affiliation:

1. Quantum Chemistry Research Institute

2. The Kyoto Technoscience Center 16

3. 14 Yoshida Kawara-machi

4. Sakyo-Ku

5. Kyoto 606-8305

Abstract

Following a previous study of the Σ states (Phys. Chem. Chem. Phys., 2019, 21, 6327), we solved the Schrödinger equation (SE) of the hydrogen molecule in the ground and excited Π states using the free complement (FC) variational method.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01492C

Reference20 articles.

1. Structure of the exact wave function

2. Scaled Schrödinger Equation and the Exact Wave Function

3. General method of solving the Schrödinger equation of atoms and molecules

4. Discovery of a General Method of Solving the Schrödinger and Dirac Equations That Opens a Way to Accurately Predictive Quantum Chemistry

5. Solving the Schrödinger Equation of Atoms and Molecules without Analytical Integration Based on the Free Iterative-Complement-Interaction Wave Function

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