Published April 1, 2019 | Version v1
Journal article

A new four-stages two-step phase fitted scheme for problems in quantum chemistry

  • 1. Zhaoqing University, Economics and Management College (China)
  • 2. Quanzhou Institute of Technology (China)
  • 3. Neusoft Institute Guangdong, Department of Computer Science and Technology (China)

Description

In this paper and for the first time in this research area we formulate a new multistage multistep full in phase method with meliorated properties. A theoretical, computational and numerical contemplation is also presented. The sufficiency of the new scheme is tried on using systems of coupled differential equations which represent quantum chemistry problems.

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Mathematical Chemistry
Journal Volume
57
Journal Issue
4
Journal Page Range
p. 1201-1229
ISSN
0259-9791

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54111876
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S97: MATHEMATICAL METHODS AND COMPUTING;
Descriptors DEI
DIFFERENTIAL EQUATIONS; HYBRIDIZATION; SOLUTIONS; SYMMETRY
Descriptors DEC
DISPERSIONS; EQUATIONS; HOMOGENEOUS MIXTURES; MIXTURES

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Copyright (c) 2019 Springer Nature Switzerland AG