### Abstract

We report for the calculation of the electronic singlet and triplet states in Ba_{0.6}K_{0.4}BiO_{3} by a discretized path integral molecular dynamics which includes quantum indistinguishability. We show that two nonpolarized electrons form a bound complex within a single Bi ion. Two polarized electrons are located on different Bi sites. The singlet-triplet splitting is found to be ∼0.6 eV.

Original language | English (US) |
---|---|

Pages (from-to) | 653-657 |

Number of pages | 5 |

Journal | Solid State Communications |

Volume | 102 |

Issue number | 9 |

State | Published - Jun 1997 |

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### ASJC Scopus subject areas

- Materials Science(all)
- Condensed Matter Physics

### Cite this

_{0.6}K

_{0.4}BiO

_{3}via discretized path integral molecular dynamics.

*Solid State Communications*,

*102*(9), 653-657.

**Two-electron states in Ba _{0.6}K_{0.4}BiO_{3} via discretized path integral molecular dynamics.** / Lee, C. Y.; Deymier, Pierre A.

Research output: Contribution to journal › Article

_{0.6}K

_{0.4}BiO

_{3}via discretized path integral molecular dynamics',

*Solid State Communications*, vol. 102, no. 9, pp. 653-657.

_{0.6}K

_{0.4}BiO

_{3}via discretized path integral molecular dynamics. Solid State Communications. 1997 Jun;102(9):653-657.

}

TY - JOUR

T1 - Two-electron states in Ba0.6K0.4BiO3 via discretized path integral molecular dynamics

AU - Lee, C. Y.

AU - Deymier, Pierre A

PY - 1997/6

Y1 - 1997/6

N2 - We report for the calculation of the electronic singlet and triplet states in Ba0.6K0.4BiO3 by a discretized path integral molecular dynamics which includes quantum indistinguishability. We show that two nonpolarized electrons form a bound complex within a single Bi ion. Two polarized electrons are located on different Bi sites. The singlet-triplet splitting is found to be ∼0.6 eV.

AB - We report for the calculation of the electronic singlet and triplet states in Ba0.6K0.4BiO3 by a discretized path integral molecular dynamics which includes quantum indistinguishability. We show that two nonpolarized electrons form a bound complex within a single Bi ion. Two polarized electrons are located on different Bi sites. The singlet-triplet splitting is found to be ∼0.6 eV.

UR - http://www.scopus.com/inward/record.url?scp=0031167641&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031167641&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0031167641

VL - 102

SP - 653

EP - 657

JO - Solid State Communications

JF - Solid State Communications

SN - 0038-1098

IS - 9

ER -