A variational lower bound to the overlap for excited states

M. Cohen; T. Feldmann; R. P. McEachran

doi:10.1016/0009-2614(71)85110-2

A variational lower bound to the overlap for excited states

M. Cohen^*
, T. Feldmann
, R. P. McEachran

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

A new variational lower bound to the overlap between an approximate excited-state wave-function and the corresponding unknown exact eigenfunctinn is obtained. The new bound generalizes the classic lower bound of Eckart valid for a ground-state trial function. Numerical values for the helium atom show that the bounds are highly effective.

Original language	English
Pages (from-to)	498-503
Number of pages	6
Journal	Chemical Physics Letters
Volume	9
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(71)85110-2
State	Published - 15 Jun 1971

Access to Document

10.1016/0009-2614(71)85110-2

Cite this

@article{bf52446715f5484db95d6abc8aae96ea,

title = "A variational lower bound to the overlap for excited states",

abstract = "A new variational lower bound to the overlap between an approximate excited-state wave-function and the corresponding unknown exact eigenfunctinn is obtained. The new bound generalizes the classic lower bound of Eckart valid for a ground-state trial function. Numerical values for the helium atom show that the bounds are highly effective.",

author = "M. Cohen and T. Feldmann and McEachran, \{R. P.\}",

year = "1971",

month = jun,

day = "15",

doi = "10.1016/0009-2614(71)85110-2",

language = "אנגלית",

volume = "9",

pages = "498--503",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "6",

}

TY - JOUR

T1 - A variational lower bound to the overlap for excited states

AU - Cohen, M.

AU - Feldmann, T.

AU - McEachran, R. P.

PY - 1971/6/15

Y1 - 1971/6/15

N2 - A new variational lower bound to the overlap between an approximate excited-state wave-function and the corresponding unknown exact eigenfunctinn is obtained. The new bound generalizes the classic lower bound of Eckart valid for a ground-state trial function. Numerical values for the helium atom show that the bounds are highly effective.

AB - A new variational lower bound to the overlap between an approximate excited-state wave-function and the corresponding unknown exact eigenfunctinn is obtained. The new bound generalizes the classic lower bound of Eckart valid for a ground-state trial function. Numerical values for the helium atom show that the bounds are highly effective.

UR - https://www.scopus.com/pages/publications/49649146857

U2 - 10.1016/0009-2614(71)85110-2

DO - 10.1016/0009-2614(71)85110-2

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:49649146857

SN - 0009-2614

VL - 9

SP - 498

EP - 503

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 6

ER -

A variational lower bound to the overlap for excited states

Abstract

Access to Document

Other files and links

Fingerprint

Cite this