---
title: "First-Principles Calculations of Mössbauer Hyperfine Parameters for Solids and Large Molecules • CBPF Index"
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**Physics Note****Published**

# **First-Principles Calculations of Mössbauer Hyperfine Parameters for Solids and Large Molecules**

**D. Guenzburger; D.E. Ellis; Z. Zeng**

1997

[**Download PDF **0.2 MB](https://index.cbpf.br/files/publicacao/6ad2a767639f62b11adbb537/pdf) [**Contact owner**](mailto:apub@cbpf.br?subject=First-Principles%20Calculations%20of%20M%C3%B6ssbauer%20Hyperfine%20Parameters%20for%20Solids%20and%20Large%20Molecules)

## **Publication details**

<dl>

<dt>Authors</dt>
<dd>D. Guenzburger; D.E. Ellis; Z. Zeng</dd>

<dt>Type</dt>
<dd>Physics Note</dd>

<dt>Status</dt>
<dd>Published</dd>

<dt>Publication date</dt>
<dd>1997</dd>

<dt>Description</dt>
<dd>Electronic structure calculations based on Density Functional theory were performed for solids and large molecules . The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Mössbauer hyperfine parameters were derived.</dd>

<dt>Year</dt>
<dd>1997</dd>

<dt>Number</dt>
<dd>CBPF-NF-065/97</dd>

<dt>Linked to a thesis</dt>
<dd>No</dd>

<dt>Linked to a grant</dt>
<dd>No</dd>

</dl>

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