Effective Core Potential

Views Updated: Dec 15, 2025

Key Facts

Abbreviation
ECP
Pronunciation
/ˈifɛktɪv kɔr pəˈtɛnʃəl/
Category
Academic & Science
Related Field
Physics

Examples in Context

  1. The electronic states of InI molecule are computed using the coupled-cluster single-and double-linear response theory ( CCSD-LRT ) based on the relativistic effective core potential basis sets.
  2. The effective core potential ( ECP ) approach provides a successful way to calculate the electronic structures of transition metal systems.
  3. An ab initio calculation was performed on the study of electronic states of MoCl_2 ~ ( 2 + ) and MoCl_4 using relativistic effective core potential ( RECP ) for molybdenum, and non-relativistic ECP for chlorine.
  4. Density functional ( B3LYP / SDD ) method with Relativistic Effective Core Potential(ECP) ( RECP ) is used to optimize the molecular structures of PdO_2 and YO_2 in Gaussian 98 program.
  5. The effective core potential ( ECP ) method was invoked to calculate copper atom in order to take consideration of remarkable inner electron relativistic effect of copper atom and calculation speed.

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